ChemSpider 2D Image | Dimethyl [4-(dimethoxymethyl)-2-nitrophenyl]malonate | C14H17NO8

Dimethyl [4-(dimethoxymethyl)-2-nitrophenyl]malonate

  • Molecular FormulaC14H17NO8
  • Average mass327.287 Da
  • Monoisotopic mass327.095428 Da
  • ChemSpider ID68051647

More details:

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

[4-(Diméthoxyméthyl)-2-nitrophényl]malonate de diméthyle [French] [ACD/IUPAC Name]
2097068-74-9 [RN]
Dimethyl [4-(dimethoxymethyl)-2-nitrophenyl]malonate [ACD/IUPAC Name]
Dimethyl-[4-(dimethoxymethyl)-2-nitrophenyl]malonat [German] [ACD/IUPAC Name]
Propanedioic acid, 2-[4-(dimethoxymethyl)-2-nitrophenyl]-, 1,3-dimethyl ester
Propanedioic acid, 2-[4-(dimethoxymethyl)-2-nitrophenyl]-, dimethyl ester [ACD/Index Name]
1,3-dimethyl 2-[4-(dimethoxymethyl)-2-nitrophenyl]propanedioate
2-(4-Dimethoxymethyl-2-nitro-phenyl)-malonic acid dimethyl ester

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

Density: 1.3±0.1 g/cm3
Boiling Point: 400.8±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 65.2±3.0 kJ/mol
Flash Point: 153.2±30.7 °C
Index of Refraction: 1.522
Molar Refractivity: 77.5±0.3 cm3
#H bond acceptors: 9
#H bond donors: 0
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 0
ACD/LogP: 1.39
ACD/LogD (pH 5.5): 1.78
ACD/BCF (pH 5.5): 13.24
ACD/KOC (pH 5.5): 221.18
ACD/LogD (pH 7.4): 1.78
ACD/BCF (pH 7.4): 13.22
ACD/KOC (pH 7.4): 220.77
Polar Surface Area: 117 Å2
Polarizability: 30.7±0.5 10-24cm3
Surface Tension: 45.8±3.0 dyne/cm
Molar Volume: 254.1±3.0 cm3

Click to predict properties on the Chemicalize site


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