2-(Oxalyl-Amino)-Benzoic Acid
Basic information
- CAS
5651-01-4- Standard SMILES
O=C(O)C(=O)Nc1ccccc1C(=O)O- InChIKey
QBYNNSFEMMNINN-UHFFFAOYSA-N- Molecular formula
- C9H7NO5
- Average molar mass
- 209.16 g/mol
- Monoisotopic mass
- 209.03242232
Overview
2-(oxaloamino)benzoic acid is an (oxaloamino)benzoic acid. It is functionally related to an anthranilic acid.
Names & identifiers
- Preferred name
- 2-(Oxalyl-Amino)-Benzoic Acid
- IUPAC
- 2-(oxaloamino)benzoic acid
- English name
- Benzoic acid,2-[(carboxycarbonyl)amino]-
- Molecular formula
- C9H7NO5
- Molecular weight
- 209.16
Names & synonyms
2-(OXALYL-AMINO)-BENZOIC ACIDRefChem:4616152-(oxaloamino)benzoic acid5651-01-4BENZOIC ACID,2[(CARBOXYCARBONYL)AMINO]-2-[(carboxycarbonyl)amino]benzoic acidCHEMBL1390502-(Carboxyformamido)Benzoic Acid2-Carboxyoxanilic acid2-oxaloaminobenzoic acidOBASCHEMBL4315667
Show more names
Benzoic acid,2-[(carboxycarbonyl)amino]-
SCHEMBL30583240CHEBI:444931c85DTXSID101034398BDBM50118789DB02622PD007813Benzoic acid, 2-[(carboxycarbonyl)amino]-
Database identifiers
- CAS
5651-01-4- PubChem CID
- 444764
- DTXSID
DTXSID101034398- ChEMBL
CHEMBL139050- ChEBI
CHEBI:44493- Nikkaji
- J1.284.164G
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 104 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 288
Experimental & physicochemical properties
DrugsPharmaceuticals -> Listed in ZINC15
Physicochemical properties
- Boiling point
- 348.51 °C · 348.51°C (rough estimate)
- Density
- 1.4726 · 1.4726 (rough estimate)
- refractive index
- 1.52 · 1.5200 (estimate)
- Water Solubility
- 1.1 g/L · 1.1g/L(10 ºC)
Chemistry & industry
Additional notes
DefinitionChEBI: 2-(oxaloamino)benzoic acid is an (oxaloamino)benzoic acid. It is functionally related to an anthranilic acid.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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