6-methoxyquinoline-5,8-dione 54232-20-1 98%
【Name】
6-methoxyquinoline-5,8-dione
【Iupac name】
6-methoxyquinoline-5,8-dione
【CAS Registry number】
54232-20-1
【Synonyms】
5,8-quinolinedione, 6-methoxy-
【Molecular Formula】
C10H7NO3 (Products with the same molecular formula)
【Molecular Weight】
189.1675
【Inchi】
InChI=1/C10H7NO3/c1-14-8-5-7(12)9-6(10(8)13)3-2-4-11-9/h2-5H,1H3
【Canonical SMILES】
COC1=CC(=O)C2=C(C1=O)C=CC=N2
Chemical and Physical Properties
【Density】
1.35g/cm3
【Boiling Point】
371.9°C at 760 mmHg
【Refractive Index】
1.592
【Flash Point】
178.7°C
【Computed Properties】
Molecular Weight:189.16748 [g/mol]
Molecular Formula:C10H7NO3
XLogP3-AA:0.9
H-Bond Donor:0
H-Bond Acceptor:4
Rotatable Bond Count:1
Exact Mass:189.042593
MonoIsotopic Mass:189.042593
Topological Polar Surface Area:56.3
Heavy Atom Count:14
Formal Charge:0
Complexity:309
Isotope Atom Count:0
Defined Atom Stereocenter Count:0
Undefined Atom Stereocenter Count:0
Defined Bond Stereocenter Count:0
Undefined Bond Stereocenter Count:0
Covalently-Bonded Unit Count:1
Feature 3D Acceptor Count:4
Feature 3D Ring Count:2
Effective Rotor Count:1
Conformer Sampling RMSD:0.4
CID Conformer Count:2
CAS NO:29911-28-2
CAS NO:32435-46-4
CAS NO:9046-10-0
CAS NO:307297-39-8
CAS NO:114435-02-8
CAS NO:10497-05-9
About|Contact|Cas|Product Name|Molecular|Country|Encyclopedia
Message|New Cas|MSDS|Service|Advertisement|CAS DataBase|Article Data|Manufacturers | Chemical Catalog
©2008 LookChem.com,License: ICP
NO.:Zhejiang16009103
complaints:service@lookchem.com Desktop View