| CAS Number | 859296-04-1 |
| Catalog Number | AG00GVGK(AGN-PC-0WB5T2) |
| Chemical Name | 3-(6-methyl-2-oxo-1(2H)-pyridinyl)propanoic acid |
| IUPAC Name | 3-(2-methyl-6-oxopyridin-1-yl)propanoic acid |
| InChI | InChI=1S/C9H11NO3/c1-7-3-2-4-8(11)10(7)6-5-9(12)13/h2-4H,5-6H2,1H3,(H,12,13) |
| InChI Key | SWTAGRJNYYLGKT-UHFFFAOYSA-N |
| MDL Number | MFCD11911382 |
| Molecular Formula | C9H11NO3 |
| Molecular Weight | 181.1885 |
| SMILES | N1(CCC(O)=O)C(C)=CC=CC1=O |
| Synonyms | 859296-04-1,
3-(6-Methyl-2-oxopyridin-1(2H)-yl)propanoic acid,
3-(6-METHYL-2-OXO-1(2H)-PYRIDINYL)PROPANOIC ACID,
3-(6-methyl-2-oxohydropyridyl)propanoic acid,
ALBB-026291,
MFCD11911382,
SBB072977,
ZINC33513289,
AKOS010096068,
MCULE-9046663651,
AJ-86199,
ST095917,
Y-6923,
1(2H)-pyridinepropanoic acid, 6-methyl-2-oxo-,
3-(6-methyl-2-oxo-1(2H)-pyridinyl)propanoic acid(SALTDATA,
|
| Complexity | 291 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 181.074g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 181.191g/mol |
| Monoisotopic Mass | 181.074g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 57.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number