| CAS Number | 129192-15-0 |
| Catalog Number | AG000YYF(AGN-PC-001ZE4) |
| Chemical Name | 3-Amino-5-phenylbenzoic acid |
| IUPAC Name | 3-amino-5-phenylbenzoic acid |
| InChI | InChI=1S/C13H11NO2/c14-12-7-10(6-11(8-12)13(15)16)9-4-2-1-3-5-9/h1-8H,14H2,(H,15,16) |
| InChI Key | PJLVKTCJJCTCCZ-UHFFFAOYSA-N |
| MDL Number | MFCD18318819 |
| Molecular Formula | C13H11NO2 |
| Molecular Weight | 213.2319 |
| SMILES | NC=1C=C(C(=O)O)C=C(C1)C1=CC=CC=C1 |
| Synonyms | 3-AMINO-5-PHENYLBENZOIC ACID,
129192-15-0,
ACMC-209bgi,
SCHEMBL2726729,
CTK8B0028,
DTXSID90562243,
5-amino-3-biphenylcarboxylic acid,
PJLVKTCJJCTCCZ-UHFFFAOYSA-N,
ANW-19120,
MFCD18318819,
ZINC34330402,
5-Amino[1,1'-biphenyl]-3-carboxylic acid,
TC-107865,
K-4019,
[1,1'-Biphenyl]-3-carboxylic acid, 5-amino-,
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| Complexity | 248 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 213.079g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 213.236g/mol |
| Monoisotopic Mass | 213.079g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 63.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.4 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number