ChemSpider 2D Image | Coumane | C10H8O2

Coumane

  • Molecular FormulaC10H8O2
  • Average mass160.169 Da
  • Monoisotopic mass160.052429 Da
  • ChemSpider ID32698815

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(1aR,7bS)-1a,7b-Dihydrocyclopropa[c]chromen-2(1H)-on [German] [ACD/IUPAC Name]
(1aR,7bS)-1a,7b-Dihydrocyclopropa[c]chromen-2(1H)-one [ACD/IUPAC Name]
(1aR,7bS)-1a,7b-Dihydrocyclopropa[c]chromén-2(1H)-one [French] [ACD/IUPAC Name]
5617-64-1 [RN]
Coumane
Cyclopropa[c][1]benzopyran-2(1H)-one, 1a,7b-dihydro-, (1aR,7bS)- [ACD/Index Name]
UNII:9GH194GRKB
2-(2-Hydroxyphenyl) cyclopropanecarboxylic acid δ lactone
UNII-9GH194GRKB

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

Density: 1.3±0.1 g/cm3
Boiling Point: 245.6±20.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.5 mmHg at 25°C
Enthalpy of Vaporization: 48.3±3.0 kJ/mol
Flash Point: 95.2±19.2 °C
Index of Refraction: 1.616
Molar Refractivity: 42.8±0.3 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 1.66
ACD/LogD (pH 5.5): 1.50
ACD/BCF (pH 5.5): 8.17
ACD/KOC (pH 5.5): 156.59
ACD/LogD (pH 7.4): 1.50
ACD/BCF (pH 7.4): 8.17
ACD/KOC (pH 7.4): 156.59
Polar Surface Area: 26 Å2
Polarizability: 17.0±0.5 10-24cm3
Surface Tension: 49.2±3.0 dyne/cm
Molar Volume: 122.6±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement