ChemSpider 2D Image | (2S)-5,6-Dimethoxy-2-(4-pyridinylmethyl)-1-indanone | C17H17NO3

(2S)-5,6-Dimethoxy-2-(4-pyridinylmethyl)-1-indanone

  • Molecular FormulaC17H17NO3
  • Average mass283.322 Da
  • Monoisotopic mass283.120850 Da
  • ChemSpider ID32789290

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(2S)-5,6-Dimethoxy-2-(4-pyridinylmethyl)-1-indanon [German] [ACD/IUPAC Name]
(2S)-5,6-Dimethoxy-2-(4-pyridinylmethyl)-1-indanone [ACD/IUPAC Name]
(2S)-5,6-Diméthoxy-2-(4-pyridinylméthyl)-1-indanone [French] [ACD/IUPAC Name]
1H-Inden-1-one, 2,3-dihydro-5,6-dimethoxy-2-(4-pyridinylmethyl)-, (2S)- [ACD/Index Name]
4803-57-0 [RN]
5,6-Dimethoxy-2-(pyridin-4-ylmethyl)indan-1-one
UNII-6J7IV2Z5L0

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

Density: 1.2±0.1 g/cm3
Boiling Point: 475.0±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 73.8±3.0 kJ/mol
Flash Point: 241.1±28.7 °C
Index of Refraction: 1.590
Molar Refractivity: 79.2±0.3 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 2.77
ACD/LogD (pH 5.5): 2.13
ACD/BCF (pH 5.5): 19.24
ACD/KOC (pH 5.5): 217.48
ACD/LogD (pH 7.4): 2.56
ACD/BCF (pH 7.4): 51.23
ACD/KOC (pH 7.4): 578.93
Polar Surface Area: 48 Å2
Polarizability: 31.4±0.5 10-24cm3
Surface Tension: 49.6±3.0 dyne/cm
Molar Volume: 234.6±3.0 cm3

Click to predict properties on the Chemicalize site


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