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Molecule structure of Quinoline-7,8-oxide (CAS NO.130536-39-9):
IUPAC Name: 1a,7b-Dihydrooxireno[2,3-h]quinoline
Molecular Weight: 145.15798 g/mol
Molecular Formula: C9H7NO
Density: 1.289 g/cm3
Boiling Point: 299.5 °C at 760 mmHg
Flash Point: 109.9 °C
Index of Refraction: 1.636
Molar Refractivity: 40.39 cm3
Molar Volume: 112.5 cm3
Polarizability: 16.01×10-24 cm3
Surface Tension: 59.2 dyne/cm
Enthalpy of Vaporization: 51.79 kJ/mol
Vapour Pressure: 0.00211 mmHg at 25 °C
XLogP3-AA: 0.7
H-Bond Acceptor: 2
Exact Mass: 145.052764
MonoIsotopic Mass: 145.052764
Topological Polar Surface Area: 25.4
Heavy Atom Count: 11
Complexity: 202
Canonical SMILES: C1=CC2=C(C3C(O3)C=C2)N=C1
InChI: InChI=1S/C9H7NO/c1-2-6-3-4-7-9(11-7)8(6)10-5-1/h1-5,7,9H
InChIKey of Quinoline-7,8-oxide (CAS NO.130536-39-9): VHKOGTWROZZNFC-UHFFFAOYSA-N
1. | mic-bac-sat 200 nmol/plate | MUREAV Mutation Research. 278 (1992),227. |
Mutation data reported. When heated to decomposition it emits toxic vapors of NOx.
Quinoline-7,8-oxide (CAS NO.130536-39-9) is also named as 1a,7b-Dihydrooxireno(h)quinoline (+-)- ; BRN 4177592 ; CCRIS 4437 ; (+-)-7,8-Epoxy-7,8-dihydroquinoline ; Oxireno(h)quinoline, 1a,7b-dihydro-, (+-)- .