ChemSpider 2D Image | 2-Hydroxy-4-methoxy-2-(methoxycarbonyl)-4-oxobutanoic acid | C7H10O7

2-Hydroxy-4-methoxy-2-(methoxycarbonyl)-4-oxobutanoic acid

  • Molecular FormulaC7H10O7
  • Average mass206.150 Da
  • Monoisotopic mass206.042648 Da
  • ChemSpider ID34446045

More details:

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

1,1,2-Ethanetricarboxylic acid, 1-hydroxy-, 1,2-dimethyl ester [ACD/Index Name]
2-Hydroxy-4-methoxy-2-(methoxycarbonyl)-4-oxobutanoic acid [ACD/IUPAC Name]
2-Hydroxy-4-methoxy-2-(methoxycarbonyl)-4-oxobutansäure [German] [ACD/IUPAC Name]
Acide 2-hydroxy-4-méthoxy-2-(méthoxycarbonyl)-4-oxobutanoïque [French] [ACD/IUPAC Name]
799271-75-3 [RN]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 399.4±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 75.1±6.0 kJ/mol
Flash Point: 164.4±21.4 °C
Index of Refraction: 1.486
Molar Refractivity: 41.1±0.3 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 0.52
ACD/LogD (pH 5.5): -3.49
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.80
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 110 Å2
Polarizability: 16.3±0.5 10-24cm3
Surface Tension: 57.1±3.0 dyne/cm
Molar Volume: 143.2±3.0 cm3

Click to predict properties on the Chemicalize site


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