ChemSpider 2D Image | (1S,6R)-3-Hydroxy-4-methyl-7-oxabicyclo[4.1.0]hept-3-ene-2,5-dione | C7H6O4

(1S,6R)-3-Hydroxy-4-methyl-7-oxabicyclo[4.1.0]hept-3-ene-2,5-dione

  • Molecular FormulaC7H6O4
  • Average mass154.120 Da
  • Monoisotopic mass154.026611 Da
  • ChemSpider ID21395781

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(1S,6R)-3-Hydroxy-4-methyl-7-oxabicyclo[4.1.0]hept-3-en-2,5-dion [German] [ACD/IUPAC Name]
(1S,6R)-3-Hydroxy-4-methyl-7-oxabicyclo[4.1.0]hept-3-ene-2,5-dione [ACD/IUPAC Name]
(1S,6R)-3-Hydroxy-4-méthyl-7-oxabicyclo[4.1.0]hept-3-ène-2,5-dione [French] [ACD/IUPAC Name]
7-Oxabicyclo[4.1.0]hept-3-ene-2,5-dione, 3-hydroxy-4-methyl-, (1S,6R)- [ACD/Index Name]
(-)-Terreic acid
121-40-4 [RN]
52225-02-2 [RN]

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

Density: 1.6±0.0 g/cm3
Boiling Point: 333.6±0.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.0 mmHg at 25°C
Enthalpy of Vaporization: 66.8±0.0 kJ/mol
Flash Point: 147.4±0.0 °C
Index of Refraction: 1.618
Molar Refractivity: 33.5±0.0 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: -0.21
ACD/LogD (pH 5.5): -1.25
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.67
ACD/LogD (pH 7.4): -3.01
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 67 Å2
Polarizability: 13.3±0.0 10-24cm3
Surface Tension: 68.8±0.0 dyne/cm
Molar Volume: 95.5±0.0 cm3

Click to predict properties on the Chemicalize site


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