| CAS Number | 887256-40-8 |
| Catalog Number | AG00H2O5(AGN-PC-0OLW42) |
| Chemical Name | 5-Amino-2-hydroxy-4'-sulfo-[1,1'-biphenyl]-3-carboxylic acid |
| EC Number | 618-207-5 |
| IUPAC Name | 5-amino-2-hydroxy-3-(4-sulfophenyl)benzoic acid |
| InChI | InChI=1S/C13H11NO6S/c14-8-5-10(12(15)11(6-8)13(16)17)7-1-3-9(4-2-7)21(18,19)20/h1-6,15H,14H2,(H,16,17)(H,18,19,20) |
| InChI Key | JFHCLENXDPFHHY-UHFFFAOYSA-N |
| MDL Number | MFCD29918713 |
| Molecular Formula | C13H11NO6S |
| Molecular Weight | 309.2945 |
| SMILES | c1cc(ccc1c2cc(cc(c2O)C(=O)O)N)S(=O)(=O)O |
| Synonyms | 887256-40-8,
5-Amino-2-hydroxy-4'-sulfo-[1,1'-biphenyl]-3-carboxylic acid,
5-Amino-3-(4-sulfonylphenyl)salicyclic Acid,
AKOS027323309,
|
| Complexity | 479 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 309.031g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 21 |
| Hydrogen Bond Acceptor Count | 7 |
| Hydrogen Bond Donor Count | 4 |
| Isotope Atom Count | 0 |
| Molecular Weight | 309.292g/mol |
| Monoisotopic Mass | 309.031g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 146A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.3 |
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Certificate of Analysis
Lot Number