ChemSpider 2D Image | 4-{(E)-[(1R,4R)-4,7,7-Trimethyl-3-oxobicyclo[2.2.1]hept-2-ylidene]methyl}benzenesulfonic acid | C17H20O4S

4-{(E)-[(1R,4R)-4,7,7-Trimethyl-3-oxobicyclo[2.2.1]hept-2-ylidene]methyl}benzenesulfonic acid

  • Molecular FormulaC17H20O4S
  • Average mass320.403 Da
  • Monoisotopic mass320.108215 Da
  • ChemSpider ID34989388

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 2 of 2 defined stereocentres

More details:

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

4-{(E)-[(1R,4R)-4,7,7-Trimethyl-3-oxobicyclo[2.2.1]hept-2-yliden]methyl}benzolsulfonsäure [German] [ACD/IUPAC Name]
4-{(E)-[(1R,4R)-4,7,7-Trimethyl-3-oxobicyclo[2.2.1]hept-2-ylidene]methyl}benzenesulfonic acid [ACD/IUPAC Name]
Acide 4-{(E)-[(1R,4R)-4,7,7-triméthyl-3-oxobicyclo[2.2.1]hept-2-ylidène]méthyl}benzènesulfonique [French] [ACD/IUPAC Name]
Benzenesulfonic acid, 4-[(E)-[(1R,4R)-4,7,7-trimethyl-3-oxobicyclo[2.2.1]hept-2-ylidene]methyl]- [ACD/Index Name]
56039-58-8 [RN]
BENZYLIDENE CAMPHOR SULFONIC ACID
UNII-BG521Q2MGT

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

Density: 1.3±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.598
Molar Refractivity: 83.7±0.4 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 2.74
ACD/LogD (pH 5.5): -1.63
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -1.63
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 80 Å2
Polarizability: 33.2±0.5 10-24cm3
Surface Tension: 52.2±3.0 dyne/cm
Molar Volume: 245.4±3.0 cm3

Click to predict properties on the Chemicalize site


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