Basic information
- CAS
648433-18-5- Standard SMILES
O=C(O)[C@H]1CC=CC[C@H]1C(=O)OCc1ccccc1- InChIKey
PHNXHSQXRQPLOW-QWHCGFSZSA-N- Molecular formula
- C15H16O4
- Average molar mass
- 260.28 g/mol
- Monoisotopic mass
- 260.10485899
Names & identifiers
- Preferred name
- 1-(Phenylmethyl) (1R,2S)-4-cyclohexene-1,2-dicarboxylate
- IUPAC
- (1S,6R)-6-phenylmethoxycarbonylcyclohex-3-ene-1-carboxylic acid
Names & synonyms
DTXSID7011990411-(Phenylmethyl) (1R,2S)-4-cyclohexene-1,2-dicarboxylate(1S,6R)-6-[(BENZYLOXY)CARBONYL]CYCLOHEX-3-ENE-1-CARBOXYLIC ACID648433-18-5
Database identifiers
- CAS
648433-18-5- PubChem CID
- 92017697
- DTXSID
DTXSID701199041
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 63.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 355
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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