Basic information
- CAS
7500-52-9- Standard SMILES
CC(=O)OCC1CCCCC1=O- InChIKey
YEFWAPMLTMNZEB-UHFFFAOYSA-N- Molecular formula
- C9H14O3
- Average molar mass
- 170.21 g/mol
- Monoisotopic mass
- 170.0942943
Names & identifiers
- Preferred name
- (2-Oxocyclohexyl)methyl acetate
- IUPAC
- (2-oxocyclohexyl)methyl acetate
Names & synonyms
(2-oxocyclohexyl)methyl acetate7500-52-9DTXSID00322618RefChem:206263DTXCID00273737NSC401679SCHEMBL10824823MFCD24688860AKOS032464474NSC-401679SY307679acetic acid (2-oxo-cyclohexyl)-methyl ester
Show more names
F9994-5250
Database identifiers
- CAS
7500-52-9- PubChem CID
- 344647
- DTXSID
DTXSID00322618
Properties
Computed structural properties
- XLogP
- 0.9
- Topological polar surface area
- 43.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 186
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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