ChemSpider 2D Image | 6-Chloro-4-(methylsulfonyl)-5-oxo-1,1'-bi(cyclohexane)-1',2-diene-1-carboxylic acid | C14H17ClO5S

6-Chloro-4-(methylsulfonyl)-5-oxo-1,1'-bi(cyclohexane)-1',2-diene-1-carboxylic acid

  • Molecular FormulaC14H17ClO5S
  • Average mass332.800 Da
  • Monoisotopic mass332.048523 Da
  • ChemSpider ID28711097

More details:

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

2-Cyclohexene-1-carboxylic acid, 6-chloro-1-(1-cyclohexen-1-yl)-4-(methylsulfonyl)-5-oxo- [ACD/Index Name]
6-Chlor-4-(methylsulfonyl)-5-oxo-1,1'-bi(cyclohexan)-1',2-dien-1-carbonsäure [German] [ACD/IUPAC Name]
6-Chloro-4-(methylsulfonyl)-5-oxo-1,1'-bi(cyclohexane)-1',2-diene-1-carboxylic acid [ACD/IUPAC Name]
Acide 6-chloro-4-(méthylsulfonyl)-5-oxo-1,1'-bi(cyclohexane)-1',2-diène-1-carboxylique [French] [ACD/IUPAC Name]
114911-83-0 [RN]
6-Chloro-4-(methanesulfonyl)-5-oxo[[1,1'-bi(cyclohexane)]-1',2-diene]-1-carboxylic acid

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

Density: 1.4±0.1 g/cm3
Boiling Point: 587.2±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.5 mmHg at 25°C
Enthalpy of Vaporization: 95.8±6.0 kJ/mol
Flash Point: 308.9±30.1 °C
Index of Refraction: 1.583
Molar Refractivity: 77.8±0.4 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 1.51
ACD/LogD (pH 5.5): -1.06
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.23
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 97 Å2
Polarizability: 30.8±0.5 10-24cm3
Surface Tension: 57.8±5.0 dyne/cm
Molar Volume: 232.7±5.0 cm3

Click to predict properties on the Chemicalize site


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