Found 3 results

Search term: NPBAXCRDRPTPBM (Found by InChIKey (skeleton match))
ChemSpider 2D Image | 1-Methyl-12-oxatricyclo[7.2.1.0~2,7~]dodeca-2,4,6-triene-3,5-diol | C12H14O3

1-Methyl-12-oxatricyclo[7.2.1.02,7]dodeca-2,4,6-triene-3,5-diol

  • Molecular FormulaC12H14O3
  • Average mass206.238 Da
  • Monoisotopic mass206.094299 Da
  • ChemSpider ID74129003

More details:

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

1-Methyl-12-oxatricyclo[7.2.1.02,7]dodeca-2,4,6-trien-3,5-diol [German] [ACD/IUPAC Name]
1-Methyl-12-oxatricyclo[7.2.1.02,7]dodeca-2,4,6-triene-3,5-diol [ACD/IUPAC Name]
1-Méthyl-12-oxatricyclo[7.2.1.02,7]dodéca-2,4,6-triène-3,5-diol [French] [ACD/IUPAC Name]
5,8-Epoxy-5H-benzocycloheptene-2,4-diol, 6,7,8,9-tetrahydro-5-methyl- [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 388.5±11.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 66.3±3.0 kJ/mol
Flash Point: 188.8±19.3 °C
Index of Refraction: 1.636
Molar Refractivity: 55.7±0.3 cm3
#H bond acceptors: 3
#H bond donors: 2
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 1.50
ACD/LogD (pH 5.5): 1.75
ACD/BCF (pH 5.5): 12.59
ACD/KOC (pH 5.5): 213.29
ACD/LogD (pH 7.4): 1.75
ACD/BCF (pH 7.4): 12.46
ACD/KOC (pH 7.4): 211.10
Polar Surface Area: 50 Å2
Polarizability: 22.1±0.5 10-24cm3
Surface Tension: 63.9±3.0 dyne/cm
Molar Volume: 155.4±3.0 cm3

Click to predict properties on the Chemicalize site


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