ChemSpider 2D Image | 6-[(1E,3E,5E,7E)-8-(3-Chloro-1H-pyrrol-2-yl)-1,3,5,7-octatetraen-1-yl]-4-methoxy-3-methyl-2H-pyran-2-one | C19H18ClNO3

6-[(1E,3E,5E,7E)-8-(3-Chloro-1H-pyrrol-2-yl)-1,3,5,7-octatetraen-1-yl]-4-methoxy-3-methyl-2H-pyran-2-one

  • Molecular FormulaC19H18ClNO3
  • Average mass343.804 Da
  • Monoisotopic mass343.097534 Da
  • ChemSpider ID26362067

  • Double-bond stereo - Double-bond stereo

More details:

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

2H-Pyran-2-one, 6-[(1E,3E,5E,7E)-8-(3-chloro-1H-pyrrol-2-yl)-1,3,5,7-octatetraen-1-yl]-4-methoxy-3-methyl- [ACD/Index Name]
6-[(1E,3E,5E,7E)-8-(3-Chlor-1H-pyrrol-2-yl)-1,3,5,7-octatetraen-1-yl]-4-methoxy-3-methyl-2H-pyran-2-on [German] [ACD/IUPAC Name]
6-[(1E,3E,5E,7E)-8-(3-Chloro-1H-pyrrol-2-yl)-1,3,5,7-octatetraen-1-yl]-4-methoxy-3-methyl-2H-pyran-2-one [ACD/IUPAC Name]
6-[(1E,3E,5E,7E)-8-(3-Chloro-1H-pyrrol-2-yl)-1,3,5,7-octatétraén-1-yl]-4-méthoxy-3-méthyl-2H-pyran-2-one [French] [ACD/IUPAC Name]
AUXARCONJUGATIN A

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

Density: 1.2±0.1 g/cm3
Boiling Point: 608.6±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 90.4±3.0 kJ/mol
Flash Point: 321.9±31.5 °C
Index of Refraction: 1.606
Molar Refractivity: 95.3±0.4 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 2.93
ACD/LogD (pH 5.5): 3.79
ACD/BCF (pH 5.5): 449.96
ACD/KOC (pH 5.5): 2758.95
ACD/LogD (pH 7.4): 3.79
ACD/BCF (pH 7.4): 449.96
ACD/KOC (pH 7.4): 2758.95
Polar Surface Area: 51 Å2
Polarizability: 37.8±0.5 10-24cm3
Surface Tension: 49.9±5.0 dyne/cm
Molar Volume: 276.2±5.0 cm3

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