Home Structure Methanol

Structure of Methanol (CH4O)

Identification of Methanol Chemical Compound

Chemical Formula	CH4O
Molecular Weight	32.04186 g/mol
IUPAC Name	methanol
SMILES String	CO
InChI	InChI=1S/CH4O/c1-2/h2H,1H3
InChIKey	OKKJLVBELUTLKV-UHFFFAOYSA-N

Chemical Structure Description

A chemical structure of a molecule includes the arrangement of atoms and the chemical bonds that hold the atoms together. The methanol molecule contains a total of 5 bond(s) There are 1 non-H bond(s) and 1 hydroxyl group(s).
Images of the chemical structure of methanol are given below:

The 2D chemical structure image of methanol is also called skeletal formula, which is the standard notation for organic molecules. The carbon atoms in the chemical structure of methanol are implied to be located at the corner(s) and hydrogen atoms attached to carbon atoms are not indicated – each carbon atom is considered to be associated with enough hydrogen atoms to provide the carbon atom with four bonds.

The 3D chemical structure image of methanol is based on the ball-and-stick model which displays both the three-dimensional position of the atoms and the bonds between them. The radius of the spheres is therefore smaller than the rod lengths in order to provide a clearer view of the atoms and bonds throughout the chemical structure model of methanol.

An Interactive 3-dimensional (3D) Visualization of Methanol

For a better understanding of the chemical structure, an interactive 3D visualization of methanol is provided here.

The methanol molecule shown in the visualization screen can be rotated interactively by keep clicking and moving the mouse button. Mouse wheel zoom is available as well – the size of the methanol molecule can be increased or decreased by scrolling the mouse wheel.

The information of the atoms, bonds, connectivity and coordinates included in the chemical structure of methanol can easily be identified by this visualization. By right-clicking the visualization screen, various other options are available including the visualization of van der Waals surface and exporting to a image file.

More Properties of Methanol

For physicochemical, thermodynamic, transport, spectra, and other property data & information, the followings are available from “Mol-Instincts”, a chemical database based on quantum chemical computations:

Activity Score for Nuclear Receptor Ligands

IR spectra

NMR spectra

VCD spectra

3D Visualization, Animation & Analysis

quantum Chemical Computation Data (20 sets)

Molecular Descriptors
- 24 Categories
- Total of 2,004 Sets

Additional Information for Identifying Methanol Molecule

SMILES (Simplified Molecular-Input Line-Entry System) string of methanol

The SMILES string of methanol is CO, which can be can be imported by most molecule editors for conversion back into two-dimensional drawings or three-dimensional models of the methanol.
Structure Data File (SDF/MOL File) of methanol

The structure data file (SDF/MOL File) of methanol is available for download in the SDF page of methanol, which provides the information about the atoms, bonds, connectivity and coordinates of methanol. The methanol structure data file can be imported to most of the cheminformatics software systems and applications.
Chemical formula of methanol

The molecular formula of methanol is available in chemical formula page of methanol, which identifies each constituent element by its chemical symbol and indicates the proportionate number of atoms of each element.
Molecular weight of methanol

The molecular weight of methanol is available in molecular weight page of methanol, which is calculated as the sum of the atomic weights of each constituent element multiplied by the number of atoms of that element in the molecular formula.

Other names (synonyms) or registry numbers of methanol

The methanol compound may be called differently depending on the various different situations of industrial applications. Below are the list of the other names (synonyms) of methanol including the various registry numbers, if available:
- Methanol with 0.1% trifluoroacetic acid, LC-MS Ultra CHROMASOLV(R), tested for UHPLC-MS
- AR-1A0519
- KST-1A3746
- 31648-08-5
- (14c)methanol
- OME
- OMB
- Methanol solution, NMR reference standard, 4% in methanol-d4 (99.8 atom % D), NMR tube size 5 mm x 8 in.
- Methanol solution, NMR reference standard, 4% in methanol-d4 (99.8 atom % D), NMR tube size 3 mm x 8 in.
- JandaJel(TM)-OH, 50-100 mesh, extent of labeling: 1.0 mmol/g OH loading, 2 % cross-linked
- JandaJel(TM)-OH, 200-400 mesh, extent of labeling: 1.0 mmol/g OH loading, 2 % cross-linked
- JandaJel(TM)-OH, 100-200 mesh, extent of labeling: 1.0 mmol/g OH loading, 2 % cross-linked
- 54841-71-3
- 170082-17-4
- 1173023-83-0
- Residual Solvent Class 2 - Methanol, United States Pharmacopeia (USP) Reference Standard
- Methanol, puriss. p.a., ACS reagent, reag. ISO, reag. Ph. Eur., >=99.8% (GC)
- Methanol, for HPLC, gradient grade, suitable as ACS-grade LC reagent, >=99.9%
- Methanol solution, for HPLC, contains 10 % (v/v) water, 0.1 % (v/v) trifluoroacetic acid
- Methanol solution, contains 0.10 % (v/v) trifluoroacetic acid, 10 % (v/v) water
- Methanol solution, contains 0.1 % (v/v) trifluoroacetic acid, 5 % (v/v) water, for HPLC
- Methanol, suitable for 300 per JIS, >=99.8%, for residue analysis
- Methanol, suitable for 1000 per JIS, >=99.8%, for residue analysis
- Methanol, puriss., meets analytical specification of Ph Eur, >=99.7% (GC)
- Methyl alcohol, United States Pharmacopeia (USP) Reference Standard
- Methanol, suitable for protein sequencing, BioReagent, >=99.93%
- Methanol, semiconductor grade VLSI PURANAL(TM) (Honeywell 17744)
- Methanol, puriss. p.a., absolute, ACS reagent, >=99.8% (GC)
- Methanol, p.a., ACS reagent, reag. ISO, reag. Ph. Eur., 99.9%
- Methanol, semiconductor grade PURANAL(TM) (Honeywell 17824)
- Methanol, pharmaceutical secondary standard; traceable to USP
- Methanol, >=99.8%, suitable for absorption spectrum analysis
- Methanol with 0.1% trifluoroacetic acid, tested for UHPLC-MS
- Methanol solution, for protein sequence analysis, ~50% in H2O
- Methanol solution, contains 0.1 % (v/v) trifluoroacetic acid
- Methanol solution, (Methanol:Dimethyl sulfoxide 1:1 (v/v))
- Moisture in methanol, 93 mg/kg, NIST(R) SRM(R) 8509
- Moisture in methanol, 325 mg/kg, NIST(R) SRM(R) 8510
- Methanol, for residue analysis, suitable for 5000 per JIS
- Methanol solution, (Methanol:Dichloromethane 1:1 (v/v))
- A(3/4)(3/4)<<
- Methanol, Vetec(TM) reagent grade, anhydrous, >=99.8%
- Methanol solution, contains 0.50 % (v/v) triethylamine
- Methanol solution, contains 0.10 % (v/v) formic acid
- Methanol solution, (Methanol:Acetonitrile 1:1 (v/v))
- Methanol, HPLC Plus, >=99.9%, poly-coated bottles
- Methanol, for HPLC, gradient grade, >=99.8% (GC)
- Methanol, BioReagent, suitable for protein sequencing
- I14-12647
- Methanol, ACS spectrophotometric grade, >=99.9%
- 300138X
- Methanol, for HPLC, gradient grade, >=99.9%
- Methanol, suitable for determination of dioxins
- Methanol, for HPLC, gradient grade, 99.93%
- D02309
- Methanol, ultrapure, Spectrophotometric Grade
- M0628
- M0097
- Methanol, spectrophotometric grade, >=99%
- Methanol, UV HPLC spectroscopic, 99.9%
- Methanol, Laboratory Reagent, >=99.6%
- Methanol, JIS special grade, >=99.8%
- Methanol, SAJ first grade, >=99.5%
- Methanol, >=99.8%, for chromatography
- Methanol solution, technical grade, 95%
- UN 1230
- RTR-022695
- Methanol, purification grade, 99.8%
- Methanol, HPLC Plus, >=99.9%
- ANW-42510
- 8292AF
- Methanol, PRA grade, >=99.9%
- Methanol, for HPLC, >=99.8%
- Methanol, HPLC gradient, 99.9%
- Methanol, Absolute - Acetone free
- Methanol GC, for residue analysis
- LTBB002976
- OXYMETHYLENE BRIDGING GROUP
- Methanol, low water for titration
- Methanol, anhydrous, >=99.5%
- Methanol, 99.8%, ACS reagent
- Methanol, ultrapure, HPLC Grade
- Methanol, NMR reference standard
- HMDB01875
- Methanol, AR, >=99.5%
- Y4S76JWI15
- Methanol, p.a., 99.9%
- Methanol, p.a., 99.8%
- Methanol, anhydrous, 99.8%
- Methanol, Environmental Grade
- Methanol HPLC Gradient Grade
- Methanol, analytical standard
- Methanol, 99% 500ml
- Methanol, SAJ special grade
- Methanol, LR, >=99%
- Methanol, or methyl alcohol
- Methanol Reagent Grade ACS
- Epitope ID:116865
- bmse000294
- Methanol (Peptide Grade)
- HYD-CH2
- methanol (methyl alcohol)
- Hydroxymethylidyne radical
- RFPDX@
- Columbian spirits
- Methanol, HPLC grade
- Solutions, Bieleski's
- Methanol, ACS Grade
- Methanol (Recovered)
- Methanol, for HPLC
- JandaJel™-OH
- Methanol, Biograde
- Methanol LC-MS
- 1 -Napthaldehyde
- Nat. Methanol
- Methanol NF
- Methylic alcohol
- Methoxy Group
- Methanol cluster
- Wood
- methanol-
- menthol crystal
- hydroxyl carbon
- Methylalcohol
- Hydroxymethyl
- CH4O
- MOH
- CAS-67-56-1
- MFCD00004595
- Methanol, or methyl alcohol [UN1230] [Flammable liquid, Poison]
- Methanol, ACS reagent, >=99.8%
- Methanol, for HPLC, >=99.9%
- Methanol, or methyl alcohol [UN1230] [Flammable liquid, Poison]
- Metanol
- Methyl alcohol (NF)
- Methanol, anhydrous
- Methanol-water mixture
- EPA Pesticide Chemical Code 053801
- RCRA waste no. U154
- MetOH
- Alkohol metylowy
- Pyro alcohol
- Carbonal
- Eureka Products Criosine Disinfectant
- Methyl alcohol [NF]
- Ideal Concentrated Wood Preservative
- X-Cide 402 Industrial Bactericide
- Alcool methylique [French]
- Metylowy alkohol [Polish]
- Alcool metilico [Italian]
- Spirit of wood
- Methylalkohol [German]
- Caswell No. 552
- Eureka Products, Criosine
- Coat-B1400
- Metanolo [Italian]
- Metanol [Spanish]
- Wilbur-Ellis Smut-Guard
- Rcra waste number U154
- Surflo-B17
- Freers Elm Arrester
- Hydroxymethane
- Pyroxylic spirits
- Metylowy alkohol
- Colonial spirits
- Bieleski's solution
- Alcool metilico
- Metanolo
- MeOH
- CH3OH
- Alcohol, methyl
- Methyl hydrate
- Alcool methylique
- Columbian spirits
- Methylalkohol
- Monohydroxymethane
- Columbian Spirit
- Colonial Spirit
- 67-56-1
- Pyroxylic spirit
- Methyl hydroxide
- Methylol
- Wood naphtha
- Wood spirit
- carbinol
- wood alcohol
- methyl alcohol

Additional Outstanding Products

Methanol Identification Summary Frequently Asked Questions (FAQs)

What’s the chemical formula of methanol?
CH4O
How many atoms and what are the elements included the methanol molecule?
6 atom(s) - 4 Hydrogen atom(s), 1 Carbon atom(s) and 1 Oxygen atom(s)
How many chemical bonds and what kind of bonds are included the methanol structure?
5 bond(s) - 1 non-H bond(s) and 1 hydroxyl group(s)
What’s the methanol’s molecular weight?
32.04186 g/mol
What’s the SMILES code of methanol?
CO
What’s the InChI string of methanol?
InChI=1S/CH4O/c1-2/h2H,1H3
What’s the InChIKey code of methanol?
OKKJLVBELUTLKV-UHFFFAOYSA-N

8907 The contents of this page can freely be shared if cited as follows:
Source: Chemical Compounds Deep Data Source (CCDDS; https://www.molinstincts.com) based on 41 patented SQN and QN technology
commercialized into Mol-Instincts database and ChemRTP, ChemEssen, Inc (2022).

Structure of Methanol (CH4O)

Identification of Methanol Chemical Compound

Chemical Structure Description

An Interactive 3-dimensional (3D) Visualization of Methanol

More Properties of Methanol

Additional Information for Identifying Methanol Molecule

SMILES (Simplified Molecular-Input Line-Entry System) string of methanol

Structure Data File (SDF/MOL File) of methanol

Chemical formula of methanol

Molecular weight of methanol

Other names (synonyms) or registry numbers of methanol

Additional Outstanding Products

Chemtopia

SnaPeaks

UnitPot

Methanol Identification Summary Frequently Asked Questions (FAQs)

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