| CAS Number | 1211526-77-0 |
| Catalog Number | AG01BV1I |
| Chemical Name | 2-(6-Cyanopyridin-3-yl)acetic acid |
| IUPAC Name | 2-(6-cyanopyridin-3-yl)acetic acid |
| InChI | InChI=1S/C8H6N2O2/c9-4-7-2-1-6(5-10-7)3-8(11)12/h1-2,5H,3H2,(H,11,12) |
| InChI Key | DCIRALHNPJYYPS-UHFFFAOYSA-N |
| MDL Number | MFCD18256030 |
| Molecular Formula | C8H6N2O2 |
| Molecular Weight | 162.1454 |
| SMILES | OC(CC1=CN=C(C#N)C=C1)=O |
| Synonyms | 2-(6-cyanopyridin-3-yl)acetic acid,
1211526-77-0,
2-Cyanopyridine-5-acetic acid,
ZINC88189830,
AKOS023622700,
Z2687203930,
|
| Complexity | 218 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 162.043g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 162.148g/mol |
| Monoisotopic Mass | 162.043g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 74A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number