Basic information
- CAS
3645-87-2- Standard SMILES
O=C(O)CC1(c2ccccc2)CCCC1=O- InChIKey
NRSOFNZPFPBHBU-UHFFFAOYSA-N- Molecular formula
- C13H14O3
- Average molar mass
- 218.25 g/mol
- Monoisotopic mass
- 218.0942943
Names & identifiers
- Preferred name
- (2-Oxo-1-phenylcyclopentyl)acetic acid
- IUPAC
- 2-(2-oxo-1-phenylcyclopentyl)acetic acid
- English name
- 2-Oxo-1-phenylcyclopentaneacetic acid
- Molecular weight
- 0
Names & synonyms
3645-87-2DTXSID00957782(2-Oxo-1-phenylcyclopentyl)acetic acidRefChem:1049729DTXCID2013857102-Oxo-1-phenylcyclopentaneacetic acidBRN 2809251Cyclopentaneacetic acid, 2-oxo-1-phenyl-
Database identifiers
- CAS
3645-87-2- PubChem CID
- 199031
- DTXSID
DTXSID00957782- Nikkaji
- J77.913J
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 54.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 292
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…