| CAS Number | 1261995-87-2 |
| Catalog Number | AG009X1H(AGN-PC-0WAAQD) |
| Chemical Name | 5-(3-Aminophenyl)nicotinic acid |
| IUPAC Name | 5-(3-aminophenyl)pyridine-3-carboxylic acid |
| InChI | InChI=1S/C12H10N2O2/c13-11-3-1-2-8(5-11)9-4-10(12(15)16)7-14-6-9/h1-7H,13H2,(H,15,16) |
| InChI Key | OSCMDJNVUGQUIT-UHFFFAOYSA-N |
| MDL Number | MFCD18316755 |
| Molecular Formula | C12H10N2O2 |
| Molecular Weight | 214.2200 |
| SMILES | Nc1cccc(c1)c1cncc(c1)C(=O)O |
| Synonyms | 5-(3-AMINOPHENYL)NICOTINIC ACID,
1261995-87-2,
5-(3-aminophenyl)pyridine-3-carboxylic acid,
DTXSID90611260,
MFCD18316755,
ZINC65347071,
AKOS024015435,
Z9291,
C12H10N2O2,
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| Complexity | 257 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 214.074g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 214.224g/mol |
| Monoisotopic Mass | 214.074g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 76.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.3 |
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Certificate of Analysis
Lot Number