2-(2-Hydroxymethylphenyl)-4-nitrobenzoic acid
Basic information
- CAS
1261971-31-6- Standard SMILES
O=C(O)c1ccc([N+](=O)[O-])cc1-c1ccccc1CO- InChIKey
YHLVUUBFLJBUEG-UHFFFAOYSA-N- Molecular formula
- C14H11NO5
- Average molar mass
- 273.24 g/mol
- Monoisotopic mass
- 273.06372245
Names & identifiers
- Preferred name
- 2-(2-Hydroxymethylphenyl)-4-nitrobenzoic acid
- IUPAC
- 2-[2-(hydroxymethyl)phenyl]-4-nitrobenzoic acid
Names & synonyms
1261971-31-6MFCD183194122-(2-HYDROXYMETHYLPHENYL)-4-NITROBENZOIC ACIDDTXSID706890632-[2-(hydroxymethyl)phenyl]-4-nitrobenzoic acid2-[2-(hydroxymethyl)phenyl]-4-nitro-benzoic acid2-(2-Hydroxymethylphenyl)-4-nitrobenzoic acid, 95%2'-(Hydroxymethyl)-5-nitro[1,1'-biphenyl]-2-carboxylic acid
Database identifiers
- CAS
1261971-31-6- PubChem CID
- 53225331
- DTXSID
DTXSID70689063
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 103 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 367
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Related reactions
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Compound notes
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