ChemSpider 2D Image | (4aS,8aR)-Octahydro-2H-chromen-2-one | C9H14O2

(4aS,8aR)-Octahydro-2H-chromen-2-one

  • Molecular FormulaC9H14O2
  • Average mass154.206 Da
  • Monoisotopic mass154.099380 Da
  • ChemSpider ID21476705

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(4aS,8aR)-Octahydro-2H-chromen-2-on [German] [ACD/IUPAC Name]
(4aS,8aR)-Octahydro-2H-chromen-2-one [ACD/IUPAC Name]
(4aS,8aR)-Octahydro-2H-chromén-2-one [French] [ACD/IUPAC Name]
14072-79-8 [RN]
239467-23-3 [RN]
2H-1-Benzopyran-2-one, octahydro-, (4aS,8aR)- [ACD/Index Name]
224-623-4 [EINECS]
4430-31-3 [RN]
Octahydrocoumarin
OCTAHYDROCOUMARIN, (+)-
More...

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

8XS045PP1L [DBID]
A5652S311P [DBID]
UNII:8XS045PP1L [DBID]
UNII:A5652S311P [DBID]
UNII-8XS045PP1L [DBID]
UNII-A5652S311P [DBID]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 273.1±8.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 51.1±3.0 kJ/mol
Flash Point: 109.0±15.9 °C
Index of Refraction: 1.478
Molar Refractivity: 41.3±0.3 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 1.35
ACD/LogD (pH 5.5): 1.98
ACD/BCF (pH 5.5): 18.76
ACD/KOC (pH 5.5): 283.77
ACD/LogD (pH 7.4): 1.98
ACD/BCF (pH 7.4): 18.76
ACD/KOC (pH 7.4): 283.77
Polar Surface Area: 26 Å2
Polarizability: 16.4±0.5 10-24cm3
Surface Tension: 34.1±3.0 dyne/cm
Molar Volume: 146.0±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement