ChemSpider 2D Image | 1-(2-Carboxy-2-oxoethyl)-4-hydroxy-2,5-cyclohexadiene-1-carboxylic acid | C10H10O6

1-(2-Carboxy-2-oxoethyl)-4-hydroxy-2,5-cyclohexadiene-1-carboxylic acid

  • Molecular FormulaC10H10O6
  • Average mass226.183 Da
  • Monoisotopic mass226.047745 Da
  • ChemSpider ID21537271

More details:






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

1-(2-Carboxy-2-oxoethyl)-4-hydroxy-2,5-cyclohexadien-1-carbonsäure [German] [ACD/IUPAC Name]
1-(2-Carboxy-2-oxoethyl)-4-hydroxy-2,5-cyclohexadiene-1-carboxylic acid [ACD/IUPAC Name]
2,5-Cyclohexadiene-1-propanoic acid, 1-carboxy-4-hydroxy-α-oxo- [ACD/Index Name]
Acide 1-(2-carboxy-2-oxoéthyl)-4-hydroxy-2,5-cyclohexadiène-1-carboxylique [French] [ACD/IUPAC Name]
(1r,4r)-1-(2-carboxy-2-oxoethyl)-4-hydroxycyclohexa-2,5-diene-1-carboxylic acid
Prephenic acid [Wiki]
Z66B98Z97I

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

Density: 1.5±0.1 g/cm3
Boiling Point: 482.6±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 86.1±6.0 kJ/mol
Flash Point: 259.8±25.2 °C
Index of Refraction: 1.599
Molar Refractivity: 50.0±0.3 cm3
#H bond acceptors: 6
#H bond donors: 3
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: -1.74
ACD/LogD (pH 5.5): -5.64
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -5.81
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 112 Å2
Polarizability: 19.8±0.5 10-24cm3
Surface Tension: 79.1±3.0 dyne/cm
Molar Volume: 146.5±3.0 cm3

Click to predict properties on the Chemicalize site