m-Aminooxanilic acid
Basic information
- CAS
101-09-7- Standard SMILES
Nc1cccc(NC(=O)C(=O)O)c1- InChIKey
RNEUWLIFSPFBQF-UHFFFAOYSA-N- Molecular formula
- C8H8N2O3
- Average molar mass
- 180.16 g/mol
- Monoisotopic mass
- 180.05349212
Names & identifiers
- Preferred name
- m-Aminooxanilic acid
- IUPAC
- 2-(3-aminoanilino)-2-oxoacetic acid
- English name
- [(3-aminophenyl)amino]oxoacetic acid
- Molecular formula
- C8H8N2O3
- Molecular weight
- 180.16
Names & synonyms
m-Aminooxanilic acidAcetic acid, [(3-aminophenyl)amino]oxo-Oxanilic acid, m-amino-Oxanilic acid, 3'-amino-SO5S90U8XL((3-Aminophenyl)amino)oxoacetic acidAcetic acid, ((3-aminophenyl)amino)oxo-[(3-AMINOPHENYL)AMINO]OXOACETIC ACIDEINECS 202-914-7NSC 36979NSC-36979Acetic acid, 2-((3-aminophenyl)amino)-2-oxo-
Show more names
3'aminooxanilic acid2-(3-aminoanilino)-2-oxoacetic acid2-(3-aminoanilino)-2-keto-acetic acid2-[(3-azanylphenyl)amino]-2-oxo-ethanoic acid
UNII-SO5S90U8XL2-((3-aminophenyl)amino)-2-oxoacetic acidDTXSID20592252-[(3-Aminophenyl)amino]-2-oxoacetic acidAcetic acid, 2-[(3-aminophenyl)amino]-2-oxo-RefChem:154856DTXCID0032574Oxanilic acid, 3'-amino-(8CI)
Database identifiers
- CAS
101-09-7- PubChem CID
- 66857
- DTXSID
DTXSID2059225- UNII
- SO5S90U8XL
- EC Number
- 202-914-7
- Nikkaji
- J182.140G
Properties
Computed structural properties
- XLogP
- 0.4
- Topological polar surface area
- 92.4 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 217
Physicochemical properties
- Melting point
- 245 °C · 245 °C (decomp)
- Density
- 1.508 · 1.508±0.06 g/cm3(Predicted)
- pka
- 1.96 · 1.96±0.20(Predicted)
- FDA UNII
- 5 S90U8XL · SO5S90U8XL
- EPA Substance Registry System
- Acetic acid, [(3-aminophenyl)amino]oxo- (101-09-7)
- TSCA
- TSCA listed
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- tsca
- TSCA listed
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationAcetic acid, 2-[(3-aminophenyl)amino]-2-oxo-: INACTIVE
Upstream & downstream products
Downstream products
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Related reactions
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Compound notes
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