| CAS Number | 1613049-74-3 |
| Catalog Number | AG01A1JC |
| Chemical Name | 3-(5-methylpyridin-3-yl)prop-2-enoic acid |
| IUPAC Name | 3-(5-methylpyridin-3-yl)prop-2-enoic acid |
| InChI | InChI=1S/C9H9NO2/c1-7-4-8(6-10-5-7)2-3-9(11)12/h2-6H,1H3,(H,11,12) |
| InChI Key | SUGXXVWXQDDZFV-UHFFFAOYSA-N |
| MDL Number | MFCD18206283 |
| Molecular Formula | C9H9NO2 |
| Molecular Weight | 163.1733 |
| SMILES | OC(/C=C/C1=CN=CC(C)=C1)=O |
| Synonyms | 3-(5-methylpyridin-3-yl)prop-2-enoic acid,
1613049-74-3,
AKOS026727439,
MCULE-4127837500,
Z1473962891,
(2E)-3-(5-methylpyridin-3-yl)prop-2-enoic acid,
944998-00-9,
|
| Complexity | 189 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 163.063g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 163.176g/mol |
| Monoisotopic Mass | 163.063g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 50.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 1 |
| XLogP3 | 1.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number