ChemSpider 2D Image | 3,6-Dihydroxy-4-methoxy-5-methyl-1-indanone | C11H12O4

3,6-Dihydroxy-4-methoxy-5-methyl-1-indanone

  • Molecular FormulaC11H12O4
  • Average mass208.211 Da
  • Monoisotopic mass208.073563 Da
  • ChemSpider ID28945594

More details:

Featured data source
Natural Product Updates

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

1H-Inden-1-one, 2,3-dihydro-3,6-dihydroxy-4-methoxy-5-methyl- [ACD/Index Name]
3,6-Dihydroxy-4-methoxy-5-methyl-1-indanon [German] [ACD/IUPAC Name]
3,6-Dihydroxy-4-methoxy-5-methyl-1-indanone [ACD/IUPAC Name]
3,6-Dihydroxy-4-méthoxy-5-méthyl-1-indanone [French] [ACD/IUPAC Name]
cyclomarinone

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

Density: 1.4±0.1 g/cm3
Boiling Point: 445.2±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 74.1±3.0 kJ/mol
Flash Point: 180.6±22.2 °C
Index of Refraction: 1.629
Molar Refractivity: 53.5±0.3 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 1.16
ACD/LogD (pH 5.5): 1.13
ACD/BCF (pH 5.5): 4.25
ACD/KOC (pH 5.5): 98.04
ACD/LogD (pH 7.4): 1.12
ACD/BCF (pH 7.4): 4.19
ACD/KOC (pH 7.4): 96.74
Polar Surface Area: 67 Å2
Polarizability: 21.2±0.5 10-24cm3
Surface Tension: 63.1±3.0 dyne/cm
Molar Volume: 150.7±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement