6,7-Dimethylquinoline-2,3-dicarboxylic acid - CAS 948294-45-9
Catalog: |
BB041551 |
Product Name: |
6,7-Dimethylquinoline-2,3-dicarboxylic acid |
CAS: |
948294-45-9 |
Synonyms: |
6,7-dimethylquinoline-2,3-dicarboxylic acid |
IUPAC Name: | 6,7-dimethylquinoline-2,3-dicarboxylic acid |
Description: | 6,7-Dimethylquinoline-2,3-dicarboxylic acid (CAS# 948294-45-9) is a useful research chemical. |
Molecular Weight: | 245.23 |
Molecular Formula: | C13H11NO4 |
Canonical SMILES: | CC1=CC2=CC(=C(N=C2C=C1C)C(=O)O)C(=O)O |
InChI: | InChI=1S/C13H11NO4/c1-6-3-8-5-9(12(15)16)11(13(17)18)14-10(8)4-7(6)2/h3-5H,1-2H3,(H,15,16)(H,17,18) |
InChI Key: | JGAHTWZHTMWMSG-UHFFFAOYSA-N |
Boiling Point: | 449.5 °C at 760 mmHg |
Density: | 1.406 g/cm3 |
LogP: | 2.24800 |
Complexity: | 357 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 245.06880783 |
Formal Charge: | 0 |
Heavy Atom Count: | 18 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 245.06880783 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 87.5 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.3 |
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