Basic information
- CAS
16053-97-7- Standard SMILES
O=C(NO)c1cccc(O)c1O- InChIKey
FIDAFVPRXYXHSB-UHFFFAOYSA-N- Molecular formula
- C7H7NO4
- Average molar mass
- 169.13 g/mol
- Monoisotopic mass
- 169.0375077
Names & identifiers
- Preferred name
- N,2,3-trihydroxybenzamide
- IUPAC
- N,2,3-trihydroxybenzamide
Names & synonyms
N,2,3-trihydroxybenzamide16053-97-7Benzamide, N,2,3-trihydroxy-NSC-3540882,3-dihydroxybenzohydroxamic acidNSC354088catechol hydroxamic acid4BRT9JU4WLBenzamide,2,3-trihydroxy-2,3,N-Trihydroxy-benzamideCHEMBL245179orb3173061
Show more names
SCHEMBL1436240DTXSID80320036O-PYROCATECHUOHYDROXAMIC ACID2,3,N-Trihydroxy-benzamide, 95%MFCD247138362,3-DIHYDROXYBENZOHYDROXIMIC ACID2,3-DIHYDROXYPHENYLHYDROXAMIC ACID2,3-DIHYDROXYBENZOYLHYDROXAMIC ACID
Database identifiers
- CAS
16053-97-7- PubChem CID
- 337140
- DTXSID
DTXSID80320036- ChEMBL
CHEMBL245179- UNII
- 4BRT9JU4WL
- Nikkaji
- J993.569J
Properties
Computed structural properties
- XLogP
- 0.5
- Topological polar surface area
- 89.8 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 173
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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