ChemSpider 2D Image | (3S)-3-(Dichloromethyl)-3,4,6-trihydroxy-1-indanone | C10H8Cl2O4

(3S)-3-(Dichloromethyl)-3,4,6-trihydroxy-1-indanone

  • Molecular FormulaC10H8Cl2O4
  • Average mass263.074 Da
  • Monoisotopic mass261.979950 Da
  • ChemSpider ID29355699

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

Featured data source
Natural Product Updates

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

(3S)-3-(Dichlormethyl)-3,4,6-trihydroxy-1-indanon [German] [ACD/IUPAC Name]
(3S)-3-(Dichloromethyl)-3,4,6-trihydroxy-1-indanone [ACD/IUPAC Name]
(3S)-3-(Dichlorométhyl)-3,4,6-trihydroxy-1-indanone [French] [ACD/IUPAC Name]
1H-Inden-1-one, 3-(dichloromethyl)-2,3-dihydro-3,4,6-trihydroxy-, (3S)- [ACD/Index Name]
(3S)-3-(dichloromethyl)-3,4,6-trihydroxy-2H-inden-1-one
1428962-73-5 [RN]
E'Tripartin'
tripartin

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

Density: 1.8±0.1 g/cm3
Boiling Point: 546.6±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 86.9±3.0 kJ/mol
Flash Point: 284.4±30.1 °C
Index of Refraction: 1.707
Molar Refractivity: 58.1±0.3 cm3
#H bond acceptors: 4
#H bond donors: 3
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 1.22
ACD/LogD (pH 5.5): 1.38
ACD/BCF (pH 5.5): 6.59
ACD/KOC (pH 5.5): 134.17
ACD/LogD (pH 7.4): 1.33
ACD/BCF (pH 7.4): 5.84
ACD/KOC (pH 7.4): 118.82
Polar Surface Area: 78 Å2
Polarizability: 23.0±0.5 10-24cm3
Surface Tension: 88.3±3.0 dyne/cm
Molar Volume: 149.2±3.0 cm3

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