6,8-dimethyl-4-oxo-1,4-dihydroquinoline-3-carboxylic Acid - CAS 31601-86-2
Catalog: |
BB061769 |
Product Name: |
6,8-dimethyl-4-oxo-1,4-dihydroquinoline-3-carboxylic Acid |
CAS: |
31601-86-2 |
Synonyms: |
6,8-Dimethyl-4-hydroxyquinoline-3-carboxylic acid; 6,8-Dimethyl-4-oxo-1,4-dihydroquinoline-3-carboxylic acid; 6,8-dimethyl-4-oxo-1H-quinoline-3-carboxylic acid; 4-HYDROXY-6,8-DIMETHYL-3-QUINOLINECARBOXYLIC ACID; 4-HYDROXY-6,8-DIMETHYLQUINOLINE-3-CARBOXYLIC ACID |
IUPAC Name: | 6,8-dimethyl-4-oxo-1H-quinoline-3-carboxylic acid |
Description: | 6,8-dimethyl-4-oxo-1,4-dihydroquinoline-3-carboxylic Acid (cas# 31601-86-2) is a useful research chemical. |
Molecular Weight: | 217.22 |
Molecular Formula: | C12H11NO3 |
Canonical SMILES: | CC1=CC(=C2C(=C1)C(=O)C(=CN2)C(=O)O)C |
InChI: | InChI=1S/C12H11NO3/c1-6-3-7(2)10-8(4-6)11(14)9(5-13-10)12(15)16/h3-5H,1-2H3,(H,13,14)(H,15,16) |
InChI Key: | IZUOQXWRSVPGRM-UHFFFAOYSA-N |
Complexity: | 361 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 217.07389321 |
Formal Charge: | 0 |
Heavy Atom Count: | 16 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 217.07389321 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 66.4Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.6 |
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