| CAS Number | 1368019-19-5 |
| Catalog Number | AG00HUPB |
| Chemical Name | 3-((4-HYDROXYPHENYL)AMINO)BENZOIC ACID |
| IUPAC Name | 3-(4-hydroxyanilino)benzoic acid |
| InChI | InChI=1S/C13H11NO3/c15-12-6-4-10(5-7-12)14-11-3-1-2-9(8-11)13(16)17/h1-8,14-15H,(H,16,17) |
| InChI Key | CYLZYKSKDWZMJG-UHFFFAOYSA-N |
| MDL Number | MFCD22690198 |
| Molecular Formula | C13H11NO3 |
| Molecular Weight | 229.2313 |
| SMILES | OC(=O)C1=CC=CC(NC2=CC=C(O)C=C2)=C1 |
| Synonyms | 3-((4-HYDROXYPHENYL)AMINO)BENZOIC ACID,
1368019-19-5,
MFCD22690198,
ZINC82714784,
AS-38937,
|
| Complexity | 261 |
| 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 | 3 |
| Topological Polar Surface Area | 69.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number