Methyl Quinoline-6-carboxylate - CAS 38896-30-9
Catalog: |
BB023793 |
Product Name: |
Methyl Quinoline-6-carboxylate |
CAS: |
38896-30-9 |
Synonyms: |
6-quinolinecarboxylic acid methyl ester; methyl quinoline-6-carboxylate |
IUPAC Name: | methyl quinoline-6-carboxylate |
Description: | Methyl Quinoline-6-carboxylate (CAS# 38896-30-9) is a useful research chemical. |
Molecular Weight: | 187.19 |
Molecular Formula: | C11H9NO2 |
Canonical SMILES: | COC(=O)C1=CC2=C(C=C1)N=CC=C2 |
InChI: | InChI=1S/C11H9NO2/c1-14-11(13)9-4-5-10-8(7-9)3-2-6-12-10/h2-7H,1H3 |
InChI Key: | XSRWQTDEIOHXSL-UHFFFAOYSA-N |
Boiling Point: | 315.1 °C at 760 mmHg |
Density: | 1.21 g/cm3 |
MDL: | MFCD00956766 |
LogP: | 2.02140 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CN-113264876-A | Method for selectively catalyzing and hydrogenating aromatic heterocyclic compounds by non-hydrogen participation | 20210528 |
WO-2021191359-A1 | Monoacylglycerol lipase modulators | 20200326 |
WO-2021066922-A1 | Antiviral heterocyclic compounds | 20191004 |
CN-110229102-A | 2- is alkylated quinoline, derivative and its synthetic method | 20190706 |
CN-113329790-A | Crystalline and salt forms of a kinase inhibitor | 20181213 |
Complexity: | 217 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 187.063328530 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 187.063328530 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 39.2 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.3 |
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