ChemSpider 2D Image | 2,3-Dihydroxy-4-isopropyl-2,4,6-cycloheptatrien-1-one | C10H12O3

2,3-Dihydroxy-4-isopropyl-2,4,6-cycloheptatrien-1-one

  • Molecular FormulaC10H12O3
  • Average mass180.201 Da
  • Monoisotopic mass180.078644 Da
  • ChemSpider ID57499060

More details:

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

16643-33-7 [RN]
2,3-Dihydroxy-4-isopropyl-2,4,6-cycloheptatrien-1-on [German] [ACD/IUPAC Name]
2,3-Dihydroxy-4-isopropyl-2,4,6-cycloheptatrien-1-one [ACD/IUPAC Name]
2,3-Dihydroxy-4-isopropyl-2,4,6-cycloheptatrién-1-one [French] [ACD/IUPAC Name]
2,4,6-Cycloheptatrien-1-one, 2,3-dihydroxy-4-(1-methylethyl)- [ACD/Index Name]
2,4,6-CYCLOHEPTATRIEN-1-ONE,2,3-DIHYDROXY-4-(1-METHYLETHYL)-

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

Density: 1.3±0.1 g/cm3
Boiling Point: 294.7±40.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 62.0±6.0 kJ/mol
Flash Point: 146.3±23.8 °C
Index of Refraction: 1.602
Molar Refractivity: 48.3±0.3 cm3
#H bond acceptors: 3
#H bond donors: 2
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 1.65
ACD/LogD (pH 5.5): -0.49
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 2.20
ACD/LogD (pH 7.4): -2.05
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 58 Å2
Polarizability: 19.1±0.5 10-24cm3
Surface Tension: 59.0±3.0 dyne/cm
Molar Volume: 140.6±3.0 cm3

Click to predict properties on the Chemicalize site


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