Basic information
- CAS
2979-54-6- Standard SMILES
O=C(CNC(=O)c1ccccc1)Oc1ccccc1- InChIKey
ZOSCMQBDSZBUAI-UHFFFAOYSA-N- Molecular formula
- C15H13NO3
- Average molar mass
- 255.27 g/mol
- Monoisotopic mass
- 255.08954328
Names & identifiers
- Preferred name
- Phenyl hippurate
- IUPAC
- phenyl 2-benzamidoacetate
- English name
- phenyl hippurate
- Molecular weight
- 0
Names & synonyms
Phenyl hippurate2979-54-6RefChem:929035phenyl n-benzoylglycinateCHEMBL31331SCHEMBL27554309DTXSID40877718Glycine, N-benzoyl-, phenyl ester
Database identifiers
- CAS
2979-54-6- PubChem CID
- 76323
- DTXSID
DTXSID40877718- ChEMBL
CHEMBL31331- Nikkaji
- J1.388.448J
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 55.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 305
Experimental & physicochemical properties
LogP2.31
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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