| CAS Number | 883-18-1 |
| Catalog Number | AG01AHIA(AGN-PC-0JT1KN) |
| Chemical Name | 1-methyl-4-oxo-1,4-dihydrocinnoline-3-carboxylic acid |
| IUPAC Name | 1-methyl-4-oxocinnoline-3-carboxylic acid |
| InChI | InChI=1S/C10H8N2O3/c1-12-7-5-3-2-4-6(7)9(13)8(11-12)10(14)15/h2-5H,1H3,(H,14,15) |
| InChI Key | MRKGRJJAAGFLFT-UHFFFAOYSA-N |
| MDL Number | MFCD18483345 |
| Molecular Formula | C10H8N2O3 |
| Molecular Weight | 204.1821 |
| SMILES | CN1C2=C(C=CC=C2)C(=O)C(C(O)=O)=N1 |
| Synonyms | 1-methyl-4-oxo-1,4-dihydrocinnoline-3-carboxylic acid,
883-18-1,
AC1LC3QK,
1,4-Dihydro-1-methylcinnolin-4-oxo-3-carboxylic acid,
SCHEMBL7299469,
CTK7J1052,
MRKGRJJAAGFLFT-UHFFFAOYSA-N,
ZINC32252738,
AKOS022667467,
MCULE-1377294072,
NE45986,
1-methyl-4-oxocinnoline-3-carboxylic acid,
EN300-74817,
Z1259335810,
1-Methyl-4-oxo-1,4-dihydro-3-cinnolinecarboxylic acid #,
CID569031,
|
| Complexity | 338 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 204.053g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 204.185g/mol |
| Monoisotopic Mass | 204.053g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 70A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number