Basic information
- CAS
307974-63-6- Standard SMILES
O=C1CC[C@H](Cc2ccccc2)[C@@H](C(=O)O)C1- InChIKey
RPYASTUWLRHTAX-YPMHNXCESA-N- Molecular formula
- C14H16O3
- Average molar mass
- 232.27 g/mol
- Monoisotopic mass
- 232.10994437
Names & identifiers
- Preferred name
- (1S,2R)-2-benzyl-5-oxocyclohexane-1-carboxylic acid
- IUPAC
- cis-(1S,2R)-2-benzyl-5-oxocyclohexane-1-carboxylic acid
Names & synonyms
(1S,2R)-2-benzyl-5-oxocyclohexane-1-carboxylic acid307974-63-6rel-(1R,2S)-5-Oxo-2-(phenylmethyl)cyclohexanecarboxylic acidDTXSID801186156AKOS030487855AG-219/08801005
Database identifiers
- CAS
307974-63-6- PubChem CID
- 686281
- DTXSID
DTXSID801186156
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 54.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 292
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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