ChemSpider 2D Image | (S)-Carvonic acid | C10H12O3

(S)-Carvonic acid

  • Molecular FormulaC10H12O3
  • Average mass180.201 Da
  • Monoisotopic mass180.078644 Da
  • ChemSpider ID27330305
  • defined stereocentres - 1 of 1 defined stereocentres


More details:






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

(S)-Carvonic acid
2-[(1S)-4-Methyl-5-oxo-3-cyclohexen-1-yl]acrylic acid [ACD/IUPAC Name]
2-[(1S)-4-Methyl-5-oxo-3-cyclohexen-1-yl]acrylsäure [German] [ACD/IUPAC Name]
3-Cyclohexene-1-acetic acid, 4-methyl-α-methylene-5-oxo-, (1S)- [ACD/Index Name]
Acide 2-[(1S)-4-méthyl-5-oxo-3-cyclohexén-1-yl]acrylique [French] [ACD/IUPAC Name]
Carvonic acid [Wiki]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 369.2±31.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 67.6±6.0 kJ/mol
Flash Point: 191.3±21.3 °C
Index of Refraction: 1.522
Molar Refractivity: 47.0±0.3 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 1.07
ACD/LogD (pH 5.5): 0.00
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 5.09
ACD/LogD (pH 7.4): -1.74
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 54 Å2
Polarizability: 18.7±0.5 10-24cm3
Surface Tension: 43.1±3.0 dyne/cm
Molar Volume: 154.4±3.0 cm3

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