7,8-Dimethyl-4-hydroxyquinoline-3-carboxylic acid - CAS 53164-36-6
Catalog: |
BB028069 |
Product Name: |
7,8-Dimethyl-4-hydroxyquinoline-3-carboxylic acid |
CAS: |
53164-36-6 |
Synonyms: |
7,8-dimethyl-4-oxo-1H-quinoline-3-carboxylic acid |
IUPAC Name: | 7,8-dimethyl-4-oxo-1H-quinoline-3-carboxylic acid |
Description: | 7,8-Dimethyl-4-hydroxyquinoline-3-carboxylic acid (CAS# 53164-36-6) is a useful research chemical. |
Molecular Weight: | 217.22 |
Molecular Formula: | C12H11NO3 |
Canonical SMILES: | CC1=C(C2=C(C=C1)C(=O)C(=CN2)C(=O)O)C |
InChI: | InChI=1S/C12H11NO3/c1-6-3-4-8-10(7(6)2)13-5-9(11(8)14)12(15)16/h3-5H,1-2H3,(H,13,14)(H,15,16) |
InChI Key: | NDYCTYRHTJYACP-UHFFFAOYSA-N |
Boiling Point: | 398.6 °C at 760 mmHg |
Density: | 1.317 g/cm3 |
LogP: | 2.25540 |
GHS Hazard Statement: | H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] |
Precautionary Statement: | P264+P265, P280, P305+P351+P338, and P337+P317 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CZ-20004923-A3 | Paroxetine salts | 19980702 |
EP-1091958-A1 | Salts of paroxetine | 19980702 |
HU-0103712-A2 | Paroxetine salts, a process for their preparation and their therapeutic use | 19980702 |
KR-20010053337-A | Salts of Paroxetine | 19980702 |
SK-20242000-A3 | PAROXETINE SALT, METHOD OF ITS PREPARATION AND USE | 19980702 |
PMID | Publication Date | Title | Journal |
17064064 | 20061102 | Evaluation of 3-carboxy-4(1H)-quinolones as inhibitors of human protein kinase CK2 | Journal of medicinal chemistry |
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: | 66.4 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.6 |
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