ChemSpider 2D Image | 3-Hydroxy-4-[(2R)-2-hydroxy-6-methyl-6-hepten-2-yl]benzoic acid | C15H20O4

3-Hydroxy-4-[(2R)-2-hydroxy-6-methyl-6-hepten-2-yl]benzoic acid

  • Molecular FormulaC15H20O4
  • Average mass264.317 Da
  • Monoisotopic mass264.136169 Da
  • ChemSpider ID78441147

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

3-Hydroxy-4-[(2R)-2-hydroxy-6-methyl-6-hepten-2-yl]benzoesäure [German] [ACD/IUPAC Name]
3-Hydroxy-4-[(2R)-2-hydroxy-6-methyl-6-hepten-2-yl]benzoic acid [ACD/IUPAC Name]
Acide 3-hydroxy-4-[(2R)-2-hydroxy-6-méthyl-6-heptén-2-yl]benzoïque [French] [ACD/IUPAC Name]
Benzoic acid, 3-hydroxy-4-[(1R)-1-hydroxy-1,5-dimethyl-5-hexen-1-yl]- [ACD/Index Name]
(-)-(R)-11-dehydrosydonic acid

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

Density: 1.2±0.1 g/cm3
Boiling Point: 425.7±25.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 71.7±3.0 kJ/mol
Flash Point: 225.4±19.7 °C
Index of Refraction: 1.562
Molar Refractivity: 73.1±0.3 cm3
#H bond acceptors: 4
#H bond donors: 3
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 3.27
ACD/LogD (pH 5.5): 1.80
ACD/BCF (pH 5.5): 6.34
ACD/KOC (pH 5.5): 51.99
ACD/LogD (pH 7.4): 0.29
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.61
Polar Surface Area: 78 Å2
Polarizability: 29.0±0.5 10-24cm3
Surface Tension: 48.0±3.0 dyne/cm
Molar Volume: 225.5±3.0 cm3

Click to predict properties on the Chemicalize site


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