| CAS Number | 1261960-83-1 |
| Catalog Number | AG00HOAT |
| Chemical Name | 3-Amino-5-(3-hydroxyphenyl)benzoic acid |
| IUPAC Name | 3-amino-5-(3-hydroxyphenyl)benzoic acid |
| InChI | InChI=1S/C13H11NO3/c14-11-5-9(4-10(6-11)13(16)17)8-2-1-3-12(15)7-8/h1-7,15H,14H2,(H,16,17) |
| InChI Key | IOGGMZONUCAXAU-UHFFFAOYSA-N |
| MDL Number | MFCD18319034 |
| Molecular Formula | C13H11NO3 |
| Molecular Weight | 229.2313 |
| SMILES | Nc1cc(cc(c1)C(=O)O)c1cccc(c1)O |
| Synonyms | 1261960-83-1,
3-AMINO-5-(3-HYDROXYPHENYL)BENZOIC ACID,
5-Amino-3'-hydroxy-[1,1'-biphenyl]-3-carboxylic acid,
DTXSID30688693,
MFCD18319034,
AKOS027436266,
5-Amino-3'-hydroxy[1,1'-biphenyl]-3-carboxylic acid,
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| Complexity | 282 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 229.074g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 229.235g/mol |
| Monoisotopic Mass | 229.074g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 83.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2 |
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Certificate of Analysis
Lot Number