| CAS Number | 1123169-36-7 |
| Catalog Number | AG008VMI(AGN-PC-0WB59P) |
| Chemical Name | 6-Isopropyl-1-methyl-2-oxo-1,2-dihydropyridine-3-carboxylic acid |
| IUPAC Name | 1-methyl-2-oxo-6-propan-2-ylpyridine-3-carboxylic acid |
| InChI | InChI=1S/C10H13NO3/c1-6(2)8-5-4-7(10(13)14)9(12)11(8)3/h4-6H,1-3H3,(H,13,14) |
| InChI Key | JEXDNGUMCMJOBV-UHFFFAOYSA-N |
| MDL Number | MFCD12030937 |
| Molecular Formula | C10H13NO3 |
| Molecular Weight | 195.2151 |
| SMILES | C1(C(O)=O)=CC=C(N(C)C1=O)C(C)C |
| Synonyms | 1123169-36-7,
6-ISOPROPYL-1-METHYL-2-OXO-1,2-DIHYDRO-3-PYRIDINECARBOXYLIC ACID,
DTXSID10653243,
ZX-CM007145,
FCH923455,
MFCD12030937,
ZINC29865964,
AKOS006343564,
AJ-83829,
Y-7027,
6-Isopropyl-1-methyl-2-oxo-1,2-dihydropyridine-3-carboxylic acid,
1-Methyl-2-oxo-6-(propan-2-yl)-1,2-dihydropyridine-3-carboxylic acid,
6-isopropyl-1-methyl-2-oxo-1,2-dihydro-3-pyridinecarboxylic acid(SALTDATA,
1-methyl-2-oxo-6-propan-2-ylpyridine-3-carboxylic acid,
|
| Complexity | 339 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 195.09g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 195.218g/mol |
| Monoisotopic Mass | 195.09g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 57.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number