| CAS Number | 1797983-23-3 |
| Catalog Number | AG01CBJH(AGN-PC-0WH3OC) |
| Chemical Name | 5-Amino-2-((3-carboxy-4-hydroxyphenyl)amino)benzoic acid |
| IUPAC Name | 5-amino-2-(3-carboxy-4-hydroxyanilino)benzoic acid |
| InChI | InChI=1S/C14H12N2O5/c15-7-1-3-11(9(5-7)13(18)19)16-8-2-4-12(17)10(6-8)14(20)21/h1-6,16-17H,15H2,(H,18,19)(H,20,21) |
| InChI Key | FNKYNYBONZATNB-UHFFFAOYSA-N |
| MDL Number | MFCD24386437 |
| Molecular Formula | C14H12N2O5 |
| Molecular Weight | 288.2555 |
| SMILES | Nc1ccc(Nc2ccc(O)c(c2)C(=O)O)c(c1)C(=O)O |
| Synonyms | 1797983-23-3,
5-amino-2-((3-carboxy-4-hydroxyphenyl)amino)benzoic acid,
2-Hydroxy-5-Amino-N-(2-carboxy-4-aminophenyl)benzoic Acid,
AKOS026705702,
ZINC504677273,
F9994-0510,
5-Amino-2-(3-carboxy-4-hydroxyanilino)benzoic acid,
|
| Complexity | 403 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 288.075g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 21 |
| Hydrogen Bond Acceptor Count | 7 |
| Hydrogen Bond Donor Count | 5 |
| Isotope Atom Count | 0 |
| Molecular Weight | 288.259g/mol |
| Monoisotopic Mass | 288.075g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 133A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number