Basic information
- Standard SMILES
CC(C)=O.c1ccccc1- InChIKey
TXHIDIHEXDFONW-UHFFFAOYSA-N- Molecular formula
- C9H12O
- Average molar mass
- 136.19 g/mol
Names & identifiers
- Preferred name
- Benzene methyl ketone
- IUPAC
- benzene;propan-2-one
Names & synonyms
acetone benzenebenzene acetoneBenzol.Acetonbenzene methyl ketoneSCHEMBL312284SCHEMBL28172604TXHIDIHEXDFONW-UHFFFAOYSA-N
Database identifiers
- PubChem CID
- 22015841
Properties
Computed structural properties
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 41.8
Related reactions
12 records
Compound notes
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