Basic information
- CAS
17472-04-7- Standard SMILES
CC(=O)OC1CCCCC1=O- InChIKey
DVPFXXZVXFSUTH-UHFFFAOYSA-N- Molecular formula
- C8H12O3
- Average molar mass
- 156.18 g/mol
- Monoisotopic mass
- 156.07864424
Names & identifiers
- Preferred name
- 2-Acetoxycyclohexanone
- IUPAC
- (2-oxocyclohexyl) acetate
Names & synonyms
2-Acetoxycyclohexanone17472-04-72-(Acetyloxy)cyclohexanone(2-oxocyclohexyl) acetate2-oxocyclohexyl acetateCyclohexanone, 2-(acetyloxy)-SCHEMBL6028694DTXSID60938552AKOS006242071
Database identifiers
- CAS
17472-04-7- PubChem CID
- 140237
- DTXSID
DTXSID60938552- Nikkaji
- J398.845G
Properties
Computed structural properties
- XLogP
- 0.8
- Topological polar surface area
- 43.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 174
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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