ChemSpider 2D Image | 5-[(1-Carboxylatovinyl)oxy]-6-hydroxy-1,3-cyclohexadiene-1-carboxylate | C10H8O6

5-[(1-Carboxylatovinyl)oxy]-6-hydroxy-1,3-cyclohexadiene-1-carboxylate

  • Molecular FormulaC10H8O6
  • Average mass224.168 Da
  • Monoisotopic mass224.033188 Da
  • ChemSpider ID24785389

  • Charge - Charge

More details:

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

1,3-Cyclohexadiene-1-carboxylic acid, 5-[(1-carboxyethenyl)oxy]-6-hydroxy-, ion(2-) [ACD/Index Name]
5-[(1-Carboxylatovinyl)oxy]-6-hydroxy-1,3-cyclohexadien-1-carboxylat [German] [ACD/IUPAC Name]
5-[(1-Carboxylatovinyl)oxy]-6-hydroxy-1,3-cyclohexadiene-1-carboxylate [ACD/IUPAC Name]
5-[(1-Carboxylatovinyl)oxy]-6-hydroxy-1,3-cyclohexadiène-1-carboxylate [French] [ACD/IUPAC Name]
isochorismate
Isochorismic acid

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

Density:
Boiling Point: 558.8±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.4 mmHg at 25°C
Enthalpy of Vaporization: 96.6±6.0 kJ/mol
Flash Point: 226.8±23.6 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 6
#H bond donors: 3
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 0.26
ACD/LogD (pH 5.5): -3.24
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -4.74
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 110 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


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