ChemSpider 2D Image | 4-ISOCYANATOMETHYL-6,7-METHYLENEDIOXYCOUMARIN | C12H7NO5

4-ISOCYANATOMETHYL-6,7-METHYLENEDIOXYCOUMARIN

  • Molecular FormulaC12H7NO5
  • Average mass245.188 Da
  • Monoisotopic mass245.032425 Da
  • ChemSpider ID24589906

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

4-ISOCYANATOMETHYL-6,7-METHYLENEDIOXYCOUMARIN
6H-1,3-Dioxolo[4,5-g][1]benzopyran-6-one, 8-(isocyanatomethyl)- [ACD/Index Name]
8-(Isocyanatomethyl)-6H-[1,3]dioxolo[4,5-g]chromen-6-on [German] [ACD/IUPAC Name]
8-(Isocyanatomethyl)-6H-[1,3]dioxolo[4,5-g]chromen-6-one [ACD/IUPAC Name]
8-(Isocyanatométhyl)-6H-[1,3]dioxolo[4,5-g]chromén-6-one [French] [ACD/IUPAC Name]
97744-89-3 [RN]
6,7-METHYLENEDIOXY-4-ISOCYANATE-METHYLCOUMARIN
6,7-methylenedioxy-4-isocyanatomethylcoumarin
8-(isocyanatomethyl)-[1,3]dioxolo[4,5-g]chromen-6-one
8-(Isocyanatomethyl)-2H,6H-[1,3]dioxolo[4,5-g][1]benzopyran-6-one
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.5±0.1 g/cm3
Boiling Point: 419.9±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 67.4±3.0 kJ/mol
Flash Point: 216.7±23.2 °C
Index of Refraction: 1.666
Molar Refractivity: 59.1±0.5 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 2.73
ACD/LogD (pH 5.5): 2.42
ACD/BCF (pH 5.5): 40.82
ACD/KOC (pH 5.5): 495.10
ACD/LogD (pH 7.4): 2.42
ACD/BCF (pH 7.4): 40.82
ACD/KOC (pH 7.4): 495.10
Polar Surface Area: 74 Å2
Polarizability: 23.4±0.5 10-24cm3
Surface Tension: 59.6±7.0 dyne/cm
Molar Volume: 159.0±7.0 cm3

Click to predict properties on the Chemicalize site


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