ChemSpider 2D Image | (6aR,11aR)-pterocarpan | C15H12O2

(6aR,11aR)-pterocarpan

  • Molecular FormulaC15H12O2
  • Average mass224.255 Da
  • Monoisotopic mass224.083725 Da
  • ChemSpider ID28639217
  • defined stereocentres - 2 of 2 defined stereocentres


More details:






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

(6aR,11aR)-6a,11a-Dihydro-6H-[1]benzofuro[3,2-c]chromen [German] [ACD/IUPAC Name]
(6aR,11aR)-6a,11a-Dihydro-6H-[1]benzofuro[3,2-c]chromene [ACD/IUPAC Name]
(6aR,11aR)-6a,11a-Dihydro-6H-[1]benzofuro[3,2-c]chromène [French] [ACD/IUPAC Name]
(6aR,11aR)-pterocarpan
6H-Benzofuro[3,2-c][1]benzopyran, 6a,11a-dihydro-, (6aR,11aR)- [ACD/Index Name]
https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:73133

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

Density: 1.2±0.1 g/cm3
Boiling Point: 319.0±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.7 mmHg at 25°C
Enthalpy of Vaporization: 53.8±3.0 kJ/mol
Flash Point: 152.4±18.3 °C
Index of Refraction: 1.623
Molar Refractivity: 64.3±0.3 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 3.55
ACD/LogD (pH 5.5): 3.60
ACD/BCF (pH 5.5): 321.18
ACD/KOC (pH 5.5): 2167.38
ACD/LogD (pH 7.4): 3.60
ACD/BCF (pH 7.4): 321.18
ACD/KOC (pH 7.4): 2167.38
Polar Surface Area: 18 Å2
Polarizability: 25.5±0.5 10-24cm3
Surface Tension: 49.9±3.0 dyne/cm
Molar Volume: 182.4±3.0 cm3

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