Basic information
- Standard SMILES
O=C(OCc1ccc([N+](=O)[O-])cc1)C(O)c1ccc(O)cc1- InChIKey
ZNOCWWTZTMLNPI-UHFFFAOYSA-N- Molecular formula
- C15H13NO6
- Average molar mass
- 303.27 g/mol
Names & identifiers
- Preferred name
- p-Nitrobenzyl 4-hydroxymandelate
- IUPAC
- (4-nitrophenyl)methyl 2-hydroxy-2-(4-hydroxyphenyl)acetate
Names & synonyms
p-nitrobenzyl 4-hydroxymandelateSCHEMBL11274439ZNOCWWTZTMLNPI-UHFFFAOYSA-N
Database identifiers
- PubChem CID
- 13066460
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 113 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 380
Related reactions
1 records
Compound notes
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