| CAS Number | 88371-25-9 |
| Catalog Number | AG008DDW(AGN-PC-04GI12) |
| Chemical Name | 1-Methyl-2-Oxo-1,2,3,4-Tetrahydroquinoline-6-Carboxylic Acid |
| IUPAC Name | 1-methyl-2-oxo-3,4-dihydroquinoline-6-carboxylic acid |
| InChI | InChI=1S/C11H11NO3/c1-12-9-4-2-8(11(14)15)6-7(9)3-5-10(12)13/h2,4,6H,3,5H2,1H3,(H,14,15) |
| InChI Key | BDQUEXZLCXOYOO-UHFFFAOYSA-N |
| MDL Number | MFCD10006143 |
| Molecular Formula | C11H11NO3 |
| Molecular Weight | 205.2099 |
| SMILES | O=C(C1=CC2=C(N(C)C(CC2)=O)C=C1)O |
| Synonyms | 88371-25-9,
1-methyl-2-oxo-1,2,3,4-tetrahydroquinoline-6-carboxylic acid,
6-Quinolinecarboxylic acid, 1,2,3,4-tetrahydro-1-methyl-2-oxo-,
CTK3B2765,
DTXSID50640657,
ZINC11730022,
AKOS012395769,
MCULE-9287974156,
NE36086,
NS-02167,
Z1768160555,
1-methyl-2-oxo-3,4-dihydroquinoline-6-carboxylic acid,
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| Complexity | 290 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 205.074g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 205.213g/mol |
| Monoisotopic Mass | 205.074g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 57.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.8 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number