Basic information
- Standard SMILES
O=C([O-])[C@H](O)c1ccccc1- InChIKey
IWYDHOAUDWTVEP-SSDOTTSWSA-M- Molecular formula
- C8H7O3-
- Average molar mass
- 151.14 g/mol
- Monoisotopic mass
- 151.03951908
Names & identifiers
- Preferred name
- (R)-Mandelate
- IUPAC
- (2R)-2-hydroxy-2-phenylacetate
Names & synonyms
(R)-MandelateD-mandelate(R)-2-Hydroxy-2-phenylacetateD(-)-mandelate(2R)-hydroxy(phenyl)acetateCHEBI:32382RefChem:70315(2R)-2-hydroxy-2-phenylacetateIWYDHOAUDWTVEP-SSDOTTSWSA-MQ27104212
Database identifiers
- PubChem CID
- 5460269
- ChEBI
CHEBI:32382- Nikkaji
- J1.342.892A
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 60.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 11
- Formal charge
- -1
- Complexity
- 133
Related reactions
4 records
Compound notes
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