ChemSpider 2D Image | (1Z)-1-Methoxy-2-(methoxycarbonyl)-4-oxo-1-buten-1-olate | C7H9O5

(1Z)-1-Methoxy-2-(methoxycarbonyl)-4-oxo-1-buten-1-olate

  • Molecular FormulaC7H9O5
  • Average mass173.144 Da
  • Monoisotopic mass173.045547 Da
  • ChemSpider ID77411165
  • Charge - Charge

    Double-bond stereo - Double-bond stereo


More details:






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

(1Z)-1-Methoxy-2-(methoxycarbonyl)-4-oxo-1-buten-1-olat [German] [ACD/IUPAC Name]
(1Z)-1-Methoxy-2-(methoxycarbonyl)-4-oxo-1-buten-1-olate [ACD/IUPAC Name]
(1Z)-1-Méthoxy-2-(méthoxycarbonyl)-4-oxo-1-butén-1-olate [French] [ACD/IUPAC Name]
Butanoic acid, 2-(hydroxymethoxymethylene)-4-oxo-, methyl ester, ion(1-), (2Z)- [ACD/Index Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density:
Boiling Point: 318.0±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 64.8±6.0 kJ/mol
Flash Point: 130.4±21.4 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 0.91
ACD/LogD (pH 5.5): 0.10
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 26.97
ACD/LogD (pH 7.4): 0.08
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 25.93
Polar Surface Area: 76 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site






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