Structure & Deep Data of Acetone (C3H6O)

Chemical Structure Description

A chemical structure of a molecule includes the arrangement of atoms and the chemical bonds that hold the atoms together. The acetone molecule contains a total of 9 bond(s). There are 3 non-H bond(s), 1 multiple bond(s), 1 double bond(s), and 1 ketone(s) (aliphatic). Images of the chemical structure of acetone are given below:

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

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Additional Information for Identifying Acetone Molecule

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

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

• Structure Data File (SDF/MOL File) of acetone

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

• Chemical formula of acetone

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

• Molecular weight of acetone

  The molecular weight of acetone is available in molecular weight page of acetone, 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 acetone

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

  • BBV-72804463
  • Acetone, puriss., meets analytical specification of Ph. Eur., BP, NF, >=99% (GC)
  • Acetone, puriss. p.a., ACS reagent, reag. ISO, reag. Ph. Eur., >=99.5% (GC)
  • Acetone solution, certified reference material, 2000 mug/mL in methanol: water (9:1)
  • Acetone, semiconductor grade VLSI PURANAL(TM) (Honeywell 17617)
  • Acetone, semiconductor grade ULSI PURANAL(TM) (Honeywell 17014)
  • Acetone, semiconductor grade MOS PURANAL(TM) (Honeywell 17921)
  • Acetone, HPLC Plus, for HPLC, GC, and residue analysis, >=99.9%
  • Acetone solution, contains 20.0 % (v/v) acetonitrile, for HPLC
  • Acetone, United States Pharmacopeia (USP) Reference Standard

  • Acetone, for UV-spectroscopy, ACS reagent, >=99.7% (GC)
  • Acetone, pharmaceutical secondary standard; traceable to USP
  • Acetone, for residue analysis, suitable for 5000 per JIS
  • I14-51516
  • Acetone, >=99%, meets FCC analytical specifications
  • 2-Propanone, >10 - 60% in a non hazardous diluent
  • Acetone, ReagentPlus(R), phenol free, >=99.5%
  • Acetone, ACS spectrophotometric grade, >=99.5%
  • D02311
  • 2-Propanone, >60% in a non hazardous diluent

  • Acetone, suitable for determination of dioxins
  • Acetone, for luminescence, >=99.5% (GC)
  • A0054
  • Acetone, for residue analysis, >=99.5%
  • Acetone, >=99.5%, for residue analysis
  • Acetone, UV HPLC spectroscopic, 99.8%
  • Acetone, for HPLC, >=99.8% (GC)
  • Acetone, Laboratory Reagent, >=99.5%
  • Acetone, JIS special grade, >=99.5%
  • Acetone, histological grade, >=99.5%

  • Acetone, for chromatography, >=99.8%
  • Acetone [UN1090] [Flammable liquid]
  • Acetone, SAJ first grade, >=99.0%
  • Acetone [UN1090] [Flammable liquid]
  • UN 1090
  • RTR-022713
  • Acetone, purum, >=99.0% (GC)
  • LMFA12000057
  • Acetone, >=99.5%, ACS reagent
  • Acetone, GC, for residue analysis

  • Citronellidene Acetone; Baccartol
  • Acetone, Spectrophotometric Grade
  • HMDB01659
  • Acetone, AR, >=99.5%
  • (CH3)2CO
  • Dimethylketone, Pyroacetic acid
  • Acetone, puriss., 99.0%
  • Aceton (GERMAN, POLISH)
  • UN 1091 (Salt/Mix)
  • Acetone, natural, >=97%

  • Acetone, LR, >=99%
  • Acetone, Semiconductor Grade
  • Acetone, Environmental Grade
  • Acetone, analytical standard
  • Pyroacetic spirit (archaic)
  • EC 200-662-2
  • Acetone Reagent Grade ACS
  • Acetone, 99% 1L
  • Acetone oil (Salt/Mix)
  • Acetone, technical grade

  • Acetone, 99.5%
  • ACETONE, ACS
  • ACETONE, HPLC
  • Acetone, HPLC Grade
  • Acetone, ACS reagent
  • Acetone, for HPLC
  • Acetone HPLC grade
  • Acetone (TN)
  • Acetone p.A.
  • Acetone, puriss.

  • Acetone HP
  • 2-propanal
  • b-Ketopropane
  • 2propanone
  • methyl-ketone
  • Azeton
  • Sasetone
  • Propanon
  • Dimethylketon
  • methylketone

  • isopropanal
  • dimethylcetone
  • CAS-67-64-1
  • Acetone, ACS reagent, >=99.5%
  • Acetone, for HPLC, >=99.9%
  • Acetone, for HPLC, >=99.8%
  • 4468-52-4
  • MFCD00008765
  • Acetone (NF)
  • 1364PS73AF

  • d-acetone
  • EPA Pesticide Chemical Code 004101
  • RCRA waste no. U002
  • FEMA No. 3326
  • Acetone [NF]
  • .beta.-Ketopropane
  • Ketone, dimethyl-
  • Aceton [German, Dutch, Polish]
  • Caswell No. 004
  • Dimethyl formaldehyde

  • RCRA waste number U002
  • Acetone (natural)
  • dimethylketone
  • Ketone, dimethyl
  • Pyroacetic acid
  • Aceton
  • Ketone propane
  • Chevron acetone
  • Dimethylketal
  • beta-Ketopropane

  • Pyroacetic ether
  • Dimethylformaldehyde
  • 67-64-1
  • Methyl ketone
  • Dimethyl ketone
  • propanone
  • 2-propanone
  • acetone

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Acetone Identification Summary Frequently Asked Questions (FAQs)

What’s the chemical formula of acetone?
C3H6O
How many atoms and what are the elements included the acetone molecule?
10 atom(s) - 6 Hydrogen atom(s), 3 Carbon atom(s), and 1 Oxygen atom(s)
How many chemical bonds and what kind of bonds are included the acetone structure?
9 bond(s) - 3 non-H bond(s), 1 multiple bond(s), 1 double bond(s), and 1 ketone(s) (aliphatic)
What’s the acetone’s molecular weight?
58.07914 g/mol
What’s the SMILES code of acetone?
CC(C)=O
What’s the InChI string of acetone?
InChI=1S/C3H6O/c1-3(2)4/h1-2H3
What’s the InChIKey code of acetone?
CSCPPACGZOOCGX-UHFFFAOYSA-N

13132 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 QSQN and QN technology
commercialized into Mol-Instincts database and ChemRTP, ChemEssen, Inc (2024).