Basic information
- CAS
2897-88-3- Standard SMILES
O=C(O)c1ccccc1C(Cc1ccccc1)C(=O)O- InChIKey
RYFBBLZNOYCNFY-UHFFFAOYSA-N- Molecular formula
- C16H14O4
- Average molar mass
- 270.28 g/mol
- Monoisotopic mass
- 270.08920892
Names & identifiers
- Preferred name
- 2-(1-Carboxy-2-phenylethyl)benzoic acid
- IUPAC
- 2-(1-carboxy-2-phenylethyl)benzoic acid
Names & synonyms
2897-88-32-(1-carboxy-2-phenylethyl)benzoic acidDTXSID80951586RefChem:1060634DTXCID601379701alpha-(2-Carboxyphenyl)benzenepropanoic acidBRN 2057576Benzenepropanoic acid, alpha-(2-carboxyphenyl)-benzylhomophthalic acid3-09-00-04536 (Beilstein Handbook Reference)
Database identifiers
- CAS
2897-88-3- PubChem CID
- 200874
- DTXSID
DTXSID80951586
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 74.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 346
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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