Basic information
- CAS
61904-45-8- Standard SMILES
O=C(O)CC(c1ccccc1)c1ccc(O)cc1- InChIKey
NYNULBKKGCBKDS-UHFFFAOYSA-N- Molecular formula
- C15H14O3
- Average molar mass
- 242.27 g/mol
- Monoisotopic mass
- 242.0942943
Names & identifiers
- Preferred name
- 3-(4-Hydroxyphenyl)-3-phenylpropanoic acid
- IUPAC
- 3-(4-hydroxyphenyl)-3-phenylpropanoic acid
Names & synonyms
61904-45-83-(4-hydroxyphenyl)-3-phenylpropanoic acidNSC31634Oprea1_427854SCHEMBL3658988DTXSID20283454NSC-31634
Database identifiers
- CAS
61904-45-8- PubChem CID
- 233263
- DTXSID
DTXSID20283454- Nikkaji
- J1.824.698H
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 57.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 263
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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