ChemSpider 2D Image | 4-Methyl-8-nitro-2-oxo-2H-chromen-7-yl acetate | C12H9NO6

4-Methyl-8-nitro-2-oxo-2H-chromen-7-yl acetate

  • Molecular FormulaC12H9NO6
  • Average mass263.203 Da
  • Monoisotopic mass263.042999 Da
  • ChemSpider ID23324307

More details:

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

2H-1-Benzopyran-2-one, 7-(acetyloxy)-4-methyl-8-nitro- [ACD/Index Name]
4-Methyl-8-nitro-2-oxo-2H-chromen-7-yl acetate [ACD/IUPAC Name]
4-Methyl-8-nitro-2-oxo-2H-chromen-7-yl-acetat [German] [ACD/IUPAC Name]
Acétate de 4-méthyl-8-nitro-2-oxo-2H-chromén-7-yle [French] [ACD/IUPAC Name]
7-acetoxy-4-methyl-8-nitrocoumarin
858001-15-7 [RN]
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL404334/

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.4±0.1 g/cm3
Boiling Point: 446.8±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 70.5±3.0 kJ/mol
Flash Point: 211.9±30.7 °C
Index of Refraction: 1.591
Molar Refractivity: 62.4±0.3 cm3
#H bond acceptors: 7
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 2.65
ACD/LogD (pH 5.5): 2.21
ACD/BCF (pH 5.5): 28.04
ACD/KOC (pH 5.5): 378.43
ACD/LogD (pH 7.4): 2.21
ACD/BCF (pH 7.4): 28.04
ACD/KOC (pH 7.4): 378.43
Polar Surface Area: 98 Å2
Polarizability: 24.7±0.5 10-24cm3
Surface Tension: 55.1±3.0 dyne/cm
Molar Volume: 184.6±3.0 cm3

Click to predict properties on the Chemicalize site


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