Molecule structure of 3-Methoxy-6-methylindolo(3,2-c)quinol-ine-1,4-dione (CAS NO.113698-22-9) :
IUPAC Name: 3-methoxy-6-methyl-11H-indolo[3,2-c]quinoline-1,4-dione
Molecular Weight: 292.28878 g/mol
Molecular Formula: C17H12N2O3
Density: 1.44 g/cm3
Boiling Point: 602.6 °C at 760 mmHg
Flash Point: 318.2 °C
Index of Refraction: 1.733
Molar Refractivity: 80.96 cm3
Molar Volume: 202.1 cm3
Polarizability: 32.09*10-24 cm3
Surface Tension: 73.6 dyne/cm
Enthalpy of Vaporization: 89.65 kJ/mol
Vapour Pressure: 1.78E-14 mmHg at 25 °C
XLogP3-AA: 2.8
H-Bond Donor: 1
H-Bond Acceptor: 4
Rotatable Bond Count: 1
Tautomer Count: 6
Exact Mass: 292.084792
MonoIsotopic Mass: 292.084792
Topological Polar Surface Area: 72.1
Heavy Atom Count: 22
Complexity: 544
Canonical SMILES: CC1=NC2=C(C(=O)C=C(C2=O)OC)C3=C1C4=CC=CC=C4N3
InChI: InChI=1S/C17H12N2O3/c1-8-13-9-5-3-4-6-10(9)19-15(13)14-11(20)7-12(22-2)17(21)16(14)18-8/h3-7,19H,1-2H3
InChIKey of 3-Methoxy-6-methylindolo(3,2-c)quinol-ine-1,4-dione (CAS NO.113698-22-9) : GYJVJVCHHDSELE-UHFFFAOYSA-N
1. | mic-bac-sat 310 ng/plate | MUREAV Mutation Research. 280 (1992),225. |
Mutation data reported. When heated to decomposition it emits toxic vapors of NOx.
3-Methoxy-6-methylindolo(3,2-c)quinol-ine-1,4-dione (CAS NO.113698-22-9) is also called 3-Methoxy-6-methyl-11H-indolo(3,2-c)quinoline-1,4-dione ; 3-Methoxy-6-methyl-1H-indolo(3,2-c)quinoline-1,4(11H)-dione ; BRN 5978938 ; CCRIS 5247 ; GH9 ; 1H-Indolo(3,2-c)quinoline-1,4(11H)-dione, 3-methoxy-6-methyl- .
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