ChemSpider 2D Image | a-844606 | C20H20N2O2

a-844606

  • Molecular FormulaC20H20N2O2
  • Average mass320.385 Da
  • Monoisotopic mass320.152466 Da
  • ChemSpider ID32701187
  • defined stereocentres - 2 of 2 defined stereocentres


More details:






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

2-[(3aR,6aS)-5-Methylhexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl]-9H-xanthen-9-on [German] [ACD/IUPAC Name]
2-[(3aR,6aS)-5-Methylhexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl]-9H-xanthen-9-one [ACD/IUPAC Name]
2-[(3aR,6aS)-5-Méthylhexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl]-9H-xanthén-9-one [French] [ACD/IUPAC Name]
861119-08-6 [RN]
9H-Xanthen-9-one, 2-[(3aR,6aS)-hexahydro-5-methylpyrrolo[3,4-c]pyrrol-2(1H)-yl]- [ACD/Index Name]
a-844606
U9AMG9TJ22
UNII:U9AMG9TJ22
UNII-U9AMG9TJ22

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

Density: 1.3±0.1 g/cm3
Boiling Point: 500.0±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 76.9±3.0 kJ/mol
Flash Point: 256.2±30.1 °C
Index of Refraction: 1.640
Molar Refractivity: 91.3±0.3 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 2.89
ACD/LogD (pH 5.5): 0.29
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.36
ACD/LogD (pH 7.4): 1.02
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 7.15
Polar Surface Area: 33 Å2
Polarizability: 36.2±0.5 10-24cm3
Surface Tension: 51.3±3.0 dyne/cm
Molar Volume: 253.4±3.0 cm3

Click to predict properties on the Chemicalize site






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