Structure & Deep Data of Acetic acid (C2H4O2)

Chemical Structure Description

A chemical structure of a molecule includes the arrangement of atoms and the chemical bonds that hold the atoms together. The acetic acid molecule contains a total of 7 bond(s). There are 3 non-H bond(s), 1 multiple bond(s), 1 double bond(s), 1 carboxylic acid(s) (aliphatic), and 1 hydroxyl group(s). Images of the chemical structure of acetic acid are given below:

The 2D chemical structure image of acetic acid is also called skeletal formula, which is the standard notation for organic molecules. The carbon atoms in the chemical structure of acetic acid 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 acetic acid 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 acetic acid. Download structure data file (SDF/MOL) file of this compound.

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Additional Information for Identifying Acetic acid Molecule

• SMILES (Simplified Molecular-Input Line-Entry System) string of acetic acid

  The SMILES string of acetic acid is CC(O)=O, which can be can be imported by most molecule editors for conversion back into two-dimensional drawings or three-dimensional models of the acetic acid.

• Structure Data File (SDF/MOL File) of acetic acid

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

• Chemical formula of acetic acid

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

• Molecular weight of acetic acid

  The molecular weight of acetic acid is available in molecular weight page of acetic acid, 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 acetic acid

  The acetic acid compound may be called differently depending on the various different situations of industrial applications. Below are the list of the other names (synonyms) of acetic acid including the various registry numbers, if available:

  • BBV-201514
  • Acetic acid, puriss., meets analytical specification of Ph. Eur., BP, USP, FCC, 99.8-100.5%
  • Acetic acid, glacial, PharmaGrade, USP, JP, Ph Eur, Manufactured under appropriate GMP controls for pharma or biopharmaceutical production.
  • Acetic acid, puriss. p.a., ACS reagent, reag. ISO, reag. Ph. Eur., >=99.8%
  • Acetic acid, glacial or acetic acid solution, >80% acid, by mass [UN2789] [Corrosive]
  • Acetic acid, Acculute Standard Volumetric Solution, Final Concentration 1.0N
  • Glacial acetic acid, United States Pharmacopeia (USP) Reference Standard
  • Glacial Acetic Acid, pharmaceutical secondary standard; traceable to USP
  • Acetic acid, semiconductor grade MOS PURANAL(TM) (Honeywell 17926)
  • Acetic acid, p.a., ACS reagent, reag. ISO, reag. Ph. Eur., 99.8%

  • Acetic acid solution, with more than 10% and less than 50% acid, by mass
  • Acetic acid solution, not less than 50% but more than 80% acid, by mass
  • ACETIC ACID-1-13C, D4, 99 ATOM % 13C, 98 ATOM % D
  • Acetic acid, glacial or acetic acid solution, >80% acid, by mass
  • Acetic acid, for luminescence, BioUltra, >=99.5% (GC/T)
  • Acetic acid, >=99.7%, for titration in non-aqueous medium
  • Acetic acid, >=99.7%, suitable for amino acid analysis
  • I14-60089
  • Glacial acetic acid, meets USP testing specifications
  • Acetic acid solution, SAJ first grade, 27.0-33.0%

  • SR-01000944354-1
  • I04-9818
  • Acetic acid, Environmental, 99.0% min. 500ml
  • Acetic acid, >=99.7%, SAJ super special grade
  • A834671
  • D00010
  • Bifido Selective Supplement B, for microbiology
  • Acetic acid, Vetec(TM) reagent grade, >=99%
  • Acetic acid, UV HPLC spectroscopic, 99.9%
  • Y1308

  • E-260
  • E 260
  • Acetic acid, purified by double-distillation
  • Acetic acid, JIS special grade, >=99.7%
  • Acetic acid, >=99.99% trace metals basis
  • Acetic acid, SAJ first grade, >=99.0%
  • MO 08470
  • Acetic acid, 1.0N Standardized Solution
  • Acetic acid, 0.1N Standardized Solution
  • 834904-91-5

  • Acetic acid, USP, 99.5-100.5%
  • TRA-0196378
  • CAS-64-19-7
  • Acetic acid, ReagentPlus(R), >=99%
  • Acetic acid, natural, >=99.5%, FG
  • Acetic acid, >=99.5%, FCC, FG
  • UN 2789
  • Sodium acetate, anhydrous or trihydrate
  • RTR-021046
  • Acetic acid, for HPLC, >=99.8%

  • Acetic acid, Environmental Grade Plus
  • Acetic acid, 4% v/v aqueous solution
  • Acetic acid, 1% v/v aqueous solution
  • TCLP extraction fluid 2 (Salt/Mix)
  • LMFA01010002
  • BDBM50074329
  • ANW-44008
  • ANW-41557
  • Acetic acid, glacial, >=99.85%
  • Acetic acid, puriss., 99-100%

  • Acetic acid, Glacial, ACS Reagent
  • Acetic acid, 99.5-100.0%
  • Acetic acid solution, 1 M, 1 N
  • Q40Q9N063P
  • Acetic Acid, Glacial Reagent ACS
  • Acetic acid, LR, >=99.5%
  • ACETIC ACID, GLACIAL, ACS
  • Acetic acid, AR, >=99.8%
  • Acetic acid, 99.8%, anhydrous
  • Acetic acid, puriss., >=80%

  • HMDB00042
  • Acetic acid, Environmental Grade
  • Acetic acid, analytical standard
  • Acetic acid solution, for HPLC
  • Somatoliberin (human pancreatic islet), acetate (salt)
  • GTPL1058
  • INS No. 260
  • UN 2790 (Salt/Mix)
  • Glacial acetic acid (JP17)
  • Acetic acid, glacial (USP)

  • Acetic acid (JP17/NF)
  • Otic Domeboro (Salt/Mix)
  • bmse000857
  • bmse000817
  • bmse000191
  • Acetic acid, ACS reagent
  • CH3CO2H
  • METHYL, CARBOXY-
  • Acetic Acid (Recovered)
  • CH3COOH

  • Acetic acid 0.25% in plastic container
  • methane carboxylic acid
  • Undiluted Acetic Acid
  • MeCO2H
  • Acetic acid, propionic acid distillate
  • Vinegar (Salt/Mix)
  • Acetic Acid Natural
  • MeCOOH
  • Acetic acid, glacial [USAN:JAN]
  • Acetasol (TN)

  • Nat. Acetic Acid
  • Methanecarboxylate
  • acetic acid-
  • acetic -acid
  • Somatorelin acetate [WHO-DD]
  • Glacial Acetic
  • Glacial acetate
  • acetic-acid
  • Volsol
  • Ethylate

  • Somatorelin acetate [JAN]
  • Carboxylic acids, C2-3
  • ACY
  • 77671-22-8
  • Somatorelin acetate
  • Acetic acid, ACS reagent, >=99.7%
  • Grf sumitomo
  • Ghrh acetate
  • Orlex
  • Somatrel

  • Acetic acid, aqueous solution
  • 68475-71-8
  • Acetic acid, >=99.7%
  • Acetic acid, glacial or acetic acid solution, >80% acid, by mass [UN2789] [Corrosive]
  • Acetic acid solution, with more than 10% and less than 50% acid, by mass [UN2790] [Corrosive]
  • Acetic acid solution, not less than 50% but more than 80% acid, by mass [UN2790] [Corrosive]
  • E260
  • C2:0
  • Acetic acid [JAN]
  • Acetic acid, of a concentration of more than 10 per cent, by weight, of acetic acid

  • Acetic acid, diluted
  • MFCD00036152
  • Shotgun
  • Carboxymethyl Group
  • 10.Methanecarboxylic acid
  • CH3-COOH
  • FEMA No. 2006
  • Vosol
  • EPA Pesticide Chemical Code 044001
  • Otic Domeboro

  • FEMA Number 2006
  • ethoic acid
  • aceticacid
  • Acetic acid, water solutions
  • Vinegar
  • HOAc
  • AcOH
  • Kyselina octova [Czech]
  • Acido acetico [Italian]
  • Acide acetique [French]

  • Acetic acid (natural)
  • Octowy kwas [Polish]
  • Caswell No. 003
  • Essigsaeure [German]
  • acetyl alcohol
  • Ethanoic acid monomer
  • Azijnzuur [Dutch]
  • Pyroligneous acid
  • Octowy kwas
  • Kyselina octova

  • Acido acetico
  • Azijnzuur
  • Aci-jel
  • Acide acetique
  • Essigsaeure
  • Acetasol
  • Acetic acid glacial
  • Glacial acetic acid
  • Methanecarboxylic acid
  • Acetic acid, glacial

  • Vinegar acid
  • 64-19-7
  • Ethylic acid
  • ethanoic acid

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Acetic acid Identification Summary Frequently Asked Questions (FAQs)

What’s the chemical formula of acetic acid?
C2H4O2
How many atoms and what are the elements included the acetic acid molecule?
8 atom(s) - 4 Hydrogen atom(s), 2 Carbon atom(s), and 2 Oxygen atom(s)
How many chemical bonds and what kind of bonds are included the acetic acid structure?
7 bond(s) - 3 non-H bond(s), 1 multiple bond(s), 1 double bond(s), 1 carboxylic acid(s) (aliphatic), and 1 hydroxyl group(s)
What’s the acetic acid’s molecular weight?
60.05196 g/mol
What’s the SMILES code of acetic acid?
CC(O)=O
What’s the InChI string of acetic acid?
InChI=1S/C2H4O2/c1-2(3)4/h1H3,(H,3,4)
What’s the InChIKey code of acetic acid?
QTBSBXVTEAMEQO-UHFFFAOYSA-N

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Source: Chemical Compounds Deep Data Source (CCDDS; https://www.molinstincts.com) based on 41 patented QSQN and QN technology
commercialized into Mol-Instincts database and ChemRTP, ChemEssen, Inc (2024).