ChemSpider 2D Image | Methyl (2Z)-2-hydroxy-4-(4-methoxy-3-nitrophenyl)-4-oxo-2-butenoate | C12H11NO7

Methyl (2Z)-2-hydroxy-4-(4-methoxy-3-nitrophenyl)-4-oxo-2-butenoate

  • Molecular FormulaC12H11NO7
  • Average mass281.218 Da
  • Monoisotopic mass281.053558 Da
  • ChemSpider ID24034234

  • Double-bond stereo - Double-bond stereo

More details:

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

(2Z)-2-Hydroxy-4-(4-méthoxy-3-nitrophényl)-4-oxo-2-buténoate de méthyle [French] [ACD/IUPAC Name]
2-Butenoic acid, 2-hydroxy-4-(4-methoxy-3-nitrophenyl)-4-oxo-, methyl ester, (2Z)- [ACD/Index Name]
Methyl (2Z)-2-hydroxy-4-(4-methoxy-3-nitrophenyl)-4-oxo-2-butenoate [ACD/IUPAC Name]
Methyl-(2Z)-2-hydroxy-4-(4-methoxy-3-nitrophenyl)-4-oxo-2-butenoat [German] [ACD/IUPAC Name]
2-Hydroxy-4-(4-methoxy-3-nitro-phenyl)-4-oxo-but-2-enoic acid methyl ester
944892-50-6 [RN]
methyl (2Z)-2-hydroxy-4-(4-methoxy-3-nitrophenyl)-4-oxobut-2-enoate
MFCD09754990 [MDL number]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 476.8±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 78.0±3.0 kJ/mol
Flash Point: 242.2±28.7 °C
Index of Refraction: 1.578
Molar Refractivity: 66.6±0.3 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 1.03
ACD/LogD (pH 5.5): 0.88
ACD/BCF (pH 5.5): 2.72
ACD/KOC (pH 5.5): 71.27
ACD/LogD (pH 7.4): 0.79
ACD/BCF (pH 7.4): 2.25
ACD/KOC (pH 7.4): 58.79
Polar Surface Area: 119 Å2
Polarizability: 26.4±0.5 10-24cm3
Surface Tension: 55.9±3.0 dyne/cm
Molar Volume: 200.7±3.0 cm3

Click to predict properties on the Chemicalize site


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