3-Amino-5-(3-amino-5-carboxyphenyl)benzoicacid
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Basic information
- CAS
54262-81-6- Standard SMILES
Nc1cc(C(=O)O)cc(-c2cc(N)cc(C(=O)O)c2)c1- InChIKey
RNMWRTFLXBCPHP-UHFFFAOYSA-N- Molecular formula
- C14H12N2O4
- Average molar mass
- 272.26 g/mol
Names & identifiers
- Preferred name
- 3-Amino-5-(3-amino-5-carboxyphenyl)benzoicacid
- IUPAC
- 3-amino-5-(3-amino-5-carboxyphenyl)benzoic acid
- English name
- [1,1'-Biphenyl]-3,3'-dicarboxylic acid, 5,5'-diamino-
- Molecular formula
- C14H12N2O4
- Molecular weight
- 272.26
Names & synonyms
54262-81-63-amino-5-(3-amino-5-carboxyphenyl)benzoicacid5,5'-DIAMINO-[1,1'-BIPHENYL]-3,3'-DICARBOXYLIC ACIDSCHEMBL1142393H851085,5'-dicarboxy-3,3'-diaminobiphenyl5,5'-dicarboxy-3,3'-diaminobiphenyl5,5'-DIAMINOBIPHENYL-3,3'-DICARBOXYLIC ACID[1,1'-Biphenyl]-3,3'-dicarboxylic acid, 5,5'-diamino-
Database identifiers
- CAS
54262-81-6
Properties
Computed structural propertiesFilling in
- XLogP
- 1.2
- Topological polar surface area
- 127 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 3
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 351
Physicochemical properties
- Boiling point
- 699 · 699.0±55.0 °C(Predicted)
- Density
- 1.476 · 1.476±0.06 g/cm3(Predicted)
- pka
- 3.19 · 3.19±0.10(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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