Molecule structure of Nitroacronycine (CAS NO.99020-76-5):
IUPAC Name: 6-Methoxy-3,3,12-trimethyl-5-nitropyrano[2,3-c]acridin-7-one
Molecular Weight: 366.36732 g/mol
Molecular Formula: C20H18N2O5
Density: 1.312 g/cm3
Boiling Point: 568.9 °C at 760 mmHg
Flash Point: 297.9 °C
Index of Refraction: 1.62
Molar Refractivity: 98.12 cm3
Molar Volume: 279 cm3
Polarizability: 38.9×10-24 cm3
Surface Tension: 50.3 dyne/cm
Enthalpy of Vaporization: 85.37 kJ/mol
Vapour Pressure: 5.86E-13 mmHg at 25 °C
XLogP3: 3.5
H-Bond Acceptor: 6
Rotatable Bond Count: 1
Exact Mass: 366.121572
MonoIsotopic Mass: 366.121572
Topological Polar Surface Area: 81.9
Heavy Atom Count: 27
Complexity: 657
Canonical SMILES: CC1(C=CC2=C(O1)C(=C(C3=C2N(C4=CC=CC=C4C3=O)C)OC)[N+](=O)[O-])C
InChI: InChI=1S/C20H18N2O5/c1-20(2)10-9-12-15-14(19(26-4)16(22(24)25)18(12)27-20)17(23)11-7-5-6-8-13(11)21(15)3/h5-10H,1-4H3
InChIKey of Nitroacronycine (CAS NO.99020-76-5): RRQGPGYDNJCTPJ-UHFFFAOYSA-N
1. | unr-mus LDLo:50 mg/kg | LLOYA2 Lloydia. 30 (1967),364. |
A poison by an unreported route. When heated to decomposition it emits toxic vapors of NOx.
Nitroacronycine (CAS NO.99020-76-5) is also named Nitroacronine ; 7H-Pyrano(2,3-c)acridin-7-one, 3,12-dihydro-6-methoxy-3,3,12-trimethyl-ar-nitro- (9CI) ; Acronycine, nitro- .
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