| CAS Number | 2091244-29-8 |
| Catalog Number | AG01BXQ7 |
| Chemical Name | 2-(6-CARBAMOYLPYRIDIN-3-YL)ACETIC ACID |
| IUPAC Name | 2-(6-carbamoylpyridin-3-yl)acetic acid |
| InChI | InChI=1S/C8H8N2O3/c9-8(13)6-2-1-5(4-10-6)3-7(11)12/h1-2,4H,3H2,(H2,9,13)(H,11,12) |
| InChI Key | KYMSKWIIDCFTAL-UHFFFAOYSA-N |
| MDL Number | MFCD30685546 |
| Molecular Formula | C8H8N2O3 |
| Molecular Weight | 180.1607 |
| SMILES | NC(C1=NC=C(CC(O)=O)C=C1)=O |
| Synonyms | 2-(6-carbamoylpyridin-3-yl)acetic acid,
2091244-29-8,
AKOS033982906,
ZINC583651394,
Z2692095055,
|
| Complexity | 217 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 180.053g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 180.163g/mol |
| Monoisotopic Mass | 180.053g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 93.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -0.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number