| CAS Number | 941869-26-7 |
| Catalog Number | AG01AR7L(AGN-PC-0WCNOD) |
| Chemical Name | 1-[(2-methylphenyl)methyl]-2-oxo-1,2-dihydropyridine-3-carboxylic acid |
| IUPAC Name | 1-[(2-methylphenyl)methyl]-2-oxopyridine-3-carboxylic acid |
| InChI | InChI=1S/C14H13NO3/c1-10-5-2-3-6-11(10)9-15-8-4-7-12(13(15)16)14(17)18/h2-8H,9H2,1H3,(H,17,18) |
| InChI Key | CBRYYSFIRYCNRY-UHFFFAOYSA-N |
| MDL Number | MFCD09033898 |
| Molecular Formula | C14H13NO3 |
| Molecular Weight | 243.2579 |
| SMILES | CC1=C(CN2C(=O)C(C(O)=O)=CC=C2)C=CC=C1 |
| Synonyms | 1-(2-methylbenzyl)-2-oxo-1,2-dihydropyridine-3-carboxylic acid,
941869-26-7,
ZINC8769009,
AKOS005207763,
MCULE-2444278588,
L-3324,
F2143-0013,
1-[(2-methylphenyl)methyl]-2-oxopyridine-3-carboxylic acid,
1-[(2-methylphenyl)methyl]-2-oxo-1,2-dihydropyridine-3-carboxylic acid,
1-(2-Methylbenzyl)-2-oxo-1,2-dihydro-3-pyridinecarboxylic acid, AldrichCPR,
|
| Complexity | 411 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 243.09g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 243.262g/mol |
| Monoisotopic Mass | 243.09g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 57.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number