| CAS Number | 131781-59-4 |
| Catalog Number | AG01DV97 |
| Chemical Name | 3-methyl-2-oxo-1,2,3,4-tetrahydroquinoline-3-carboxylic acid |
| IUPAC Name | 3-methyl-2-oxo-1,4-dihydroquinoline-3-carboxylic acid |
| InChI | InChI=1S/C11H11NO3/c1-11(10(14)15)6-7-4-2-3-5-8(7)12-9(11)13/h2-5H,6H2,1H3,(H,12,13)(H,14,15) |
| InChI Key | ZSTNDRNEHHDPQB-UHFFFAOYSA-N |
| MDL Number | MFCD24495829 |
| Molecular Formula | C11H11NO3 |
| Molecular Weight | 205.2099 |
| SMILES | CC1(C(O)=O)C(=O)NC2=C(C=CC=C2)C1 |
| Synonyms | SCHEMBL9194873,
3-METHYL-2-OXO-1,2,3,4-TETRAHYDROQUINOLINE-3-CARBOXYLIC ACID,
131781-59-4,
|
| Complexity | 302 |
| 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 | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 205.213g/mol |
| Monoisotopic Mass | 205.074g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 66.4A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.8 |
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Certificate of Analysis
Lot Number