ChemSpider 2D Image | Anemonin | C10H8O4

Anemonin

  • Molecular FormulaC10H8O4
  • Average mass192.168 Da
  • Monoisotopic mass192.042252 Da
  • ChemSpider ID24534169
  • defined stereocentres - 2 of 2 defined stereocentres


More details:



Featured data source



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

(5S,6S)-1,7-Dioxadispiro[4.0.4.2]dodeca-3,9-dien-2,8-dion [German] [ACD/IUPAC Name]
(5S,6S)-1,7-Dioxadispiro[4.0.4.2]dodeca-3,9-diene-2,8-dione [ACD/IUPAC Name]
(5S,6S)-1,7-Dioxadispiro[4.0.4.2]dodéca-3,9-diène-2,8-dione [French] [ACD/IUPAC Name]
1,7-Dioxadispiro[4.0.4.2]dodeca-3,9-diene-2,8-dione, (5S,6S)- [ACD/Index Name]
Anemonin
(5R,6R)-rel-1,7-Dioxadispiro[4.0.4.2]dodeca-3,9-diene-2,8-dione
Anemonine
Pulsatilla camphor

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

G99XG5B674 [DBID]
UNII:G99XG5B674 [DBID]
UNII-G99XG5B674 [DBID]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.5±0.1 g/cm3
Boiling Point: 535.7±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 81.2±3.0 kJ/mol
Flash Point: 300.7±28.5 °C
Index of Refraction: 1.610
Molar Refractivity: 45.8±0.4 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: -1.34
ACD/LogD (pH 5.5): -0.92
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 7.56
ACD/LogD (pH 7.4): -0.92
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 7.56
Polar Surface Area: 53 Å2
Polarizability: 18.1±0.5 10-24cm3
Surface Tension: 55.9±5.0 dyne/cm
Molar Volume: 131.9±5.0 cm3

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