Basic information
- CAS
6201-78-1- Standard SMILES
Nc1ccc(C(=O)Nc2ccc(O)c(C(=O)O)c2)cc1- InChIKey
ANWCFOBHFNQQSV-UHFFFAOYSA-N- Molecular formula
- C14H12N2O4
- Average molar mass
- 272.26 g/mol
- Monoisotopic mass
- 272.07970687
Names & identifiers
- Preferred name
- 5-((4-Aminobenzoyl)amino)salicylic acid
- IUPAC
- 5-[(4-aminobenzoyl)amino]-2-hydroxybenzoic acid
- English name
- 5-[(4-aminobenzoyl)amino]salicylic acid
- Molecular formula
- C14H12N2O4
- Molecular weight
- 272.26
Names & synonyms
5-((4-Aminobenzoyl)amino)salicylic acid6201-78-15-[(4-aminobenzoyl)amino]-2-hydroxybenzoic acidEINECS 228-259-75-(4-AMINOBENZAMIDO)-2-HYDROXYBENZOIC ACIDDTXSID90211062ANWCFOBHFNQQSV-UHFFFAOYSA-NNS000348895-[(4-aminobenzoyl)amino]salicylic acid2-hydroxy-5-(4-aminobenzamido)benzoic acidBenzoic acid, 5-[(4-aminobenzoyl)amino]-2-hydroxy-
Database identifiers
- CAS
6201-78-1- PubChem CID
- 80333
- DTXSID
DTXSID90211062- EC Number
- 228-259-7
- Nikkaji
- J211.452F
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 113 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 366
Physicochemical properties
- Boiling point
- 456.8 · 456.8±45.0 °C(Predicted)
- Density
- 1.499 · 1.499±0.06 g/cm3(Predicted)
- pka
- 3.01 · 3.01±0.10(Predicted)
Chemistry & industry
Upstream & downstream products
Downstream products
Suppliers1 total
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Related reactions
0 records
No reaction records under the current filter.
Compound notes
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