ChemSpider 2D Image | MFCD03938629 | C16H19NO3

MFCD03938629

  • Molecular FormulaC16H19NO3
  • Average mass273.327 Da
  • Monoisotopic mass273.136505 Da
  • ChemSpider ID22902473

  • defined stereocentres - 1 of 2 defined stereocentres

More details:

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

(6S)-6-Methoxy-1,4,6,10,12,13-hexahydro-3H,5H-pyrano[4',3':3,4]pyrido[2,1-i]indol-3-on [German] [ACD/IUPAC Name]
(6S)-6-Methoxy-1,4,6,10,12,13-hexahydro-3H,5H-pyrano[4',3':3,4]pyrido[2,1-i]indol-3-one [ACD/IUPAC Name]
(6S)-6-Méthoxy-1,4,6,10,12,13-hexahydro-3H,5H-pyrano[4',3':3,4]pyrido[2,1-i]indol-3-one [French] [ACD/IUPAC Name]
3H,5H-Pyrano[4',3':3,4]pyrido[2,1-i]indol-3-one, 1,4,6,10,12,13-hexahydro-6-methoxy-, (6S)- [ACD/Index Name]
466-81-9 [RN]
MFCD03938629
(2R,13bS)-2-methoxy-2,6,8,9,10,13-hexahydro-1H,12H-pyrano[4',3':3,4]pyrido[2,1-i]indol-12-one
12-METHOXY-1,4,5,6,12,13-HEXAHYDRO-8H-PYRANO(4',3':3,4)PYRIDO(2,1-I)INDOL-2-ONE

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

Density: 1.3±0.1 g/cm3
Boiling Point: 517.0±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 78.9±3.0 kJ/mol
Flash Point: 266.5±30.1 °C
Index of Refraction: 1.614
Molar Refractivity: 74.5±0.4 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 0.73
ACD/LogD (pH 5.5): 0.97
ACD/BCF (pH 5.5): 2.40
ACD/KOC (pH 5.5): 46.62
ACD/LogD (pH 7.4): 1.47
ACD/BCF (pH 7.4): 7.61
ACD/KOC (pH 7.4): 147.66
Polar Surface Area: 39 Å2
Polarizability: 29.5±0.5 10-24cm3
Surface Tension: 51.1±5.0 dyne/cm
Molar Volume: 213.6±5.0 cm3

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