ChemSpider 2D Image | (1R,6R)-2-(3-Carboxylatopropanoyl)-6-hydroxy-2,4-cyclohexadiene-1-carboxylate | C11H10O6

(1R,6R)-2-(3-Carboxylatopropanoyl)-6-hydroxy-2,4-cyclohexadiene-1-carboxylate

  • Molecular FormulaC11H10O6
  • Average mass238.195 Da
  • Monoisotopic mass238.048828 Da
  • ChemSpider ID26331304
  • Charge - Charge

    defined stereocentres - 2 of 2 defined stereocentres


More details:






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

(1R,6R)-2-(3-Carboxylatopropanoyl)-6-hydroxy-2,4-cyclohexadien-1-carboxylat [German] [ACD/IUPAC Name]
(1R,6R)-2-(3-Carboxylatopropanoyl)-6-hydroxy-2,4-cyclohexadiene-1-carboxylate [ACD/IUPAC Name]
(1R,6R)-2-(3-Carboxylatopropanoyl)-6-hydroxy-2,4-cyclohexadiène-1-carboxylate [French] [ACD/IUPAC Name]
1,3-Cyclohexadiene-1-butanoic acid, 6-carboxy-5-hydroxy-γ-oxo-, ion(2-), (5R,6R)- [ACD/Index Name]
(1R,6R)-2-(3-carboxylatopropanoyl)-6-hydroxycyclohexa-2,4-diene-1-carboxylate
(1R,6R)-2-succinyl-6-hydroxycyclohexa-2,4-diene-1-carboxylate
(1R,6R)-6-hydroxy-2-succinyl-cyclohexa-2,4-diene-1-carboxylate
  • Miscellaneous

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

Density:
Boiling Point: 574.1±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.6 mmHg at 25°C
Enthalpy of Vaporization: 98.8±6.0 kJ/mol
Flash Point: 315.1±26.6 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 6
#H bond donors: 3
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: -0.79
ACD/LogD (pH 5.5): -3.73
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -5.30
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 118 Å2
Polarizability:
Surface Tension:
Molar Volume:

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