Molecular Structure of 4-Nitrobenzoylacetonitrile (CAS No.3383-43-5):
Molecular Formula: C9H6N2O3
Molecular Weight: 190.1555
CAS No: 3383-43-5
H bond acceptors: 5
H bond donors: 0
Freely Rotating Bonds: 3
Polar Surface Area: 86.68 Å2
Index of Refraction: 1.578
Molar Refractivity: 47.37 cm3
Molar Volume: 142.6 cm3
Surface Tension: 59.3 dyne/cm
Density: 1.332 g/cm3
Flash Point: 187.9 °C
Enthalpy of Vaporization: 63.61 kJ/mol
Boiling Point: 387.1 °C at 760 mmHg
Vapour Pressure: 3.37E-06 mmHg at 25°C
InChI: InChI=1/C9H6N2O3/c10-6-5-9(12)7-1-3-8(4-2-7)11(13)14/h1-4H,5H2
InChIKey: DXYPCBNFJFSXFY-UHFFFAOYAN
Std. InChI: InChI=1S/C9H6N2O3/c10-6-5-9(12)7-1-3-8(4-2-7)11(13)14/h1-4H,5H2
Std. InChIKey: DXYPCBNFJFSXFY-UHFFFAOYSA-N
Systematic Name: 3-(4-Nitrophenyl)-3-oxopropanenitrile
Product Categories: Pharmacetical
4-Nitrobenzoylacetonitrile (CAS No.3383-43-5), its synonyms are 3-(4-Nitrophenyl)-3-oxopropanenitrile ; (p-Nitrobenzoyl)acetonitrile ; 3-(4-Nitrophenyl)-3-oxopropionitrile ; Benzenepropanenitrile, 4-nitro-beta-oxo- .
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