ChemSpider 2D Image | 5,7-Dihydroxy-3-oxo-6-[(4E,6E)-3-oxo-4,6-tetradecadien-1-yl]-4-isoindolinecarboxylic acid | C23H29NO6

5,7-Dihydroxy-3-oxo-6-[(4E,6E)-3-oxo-4,6-tetradecadien-1-yl]-4-isoindolinecarboxylic acid

  • Molecular FormulaC23H29NO6
  • Average mass415.479 Da
  • Monoisotopic mass415.199493 Da
  • ChemSpider ID78435321

  • Double-bond stereo - Double-bond stereo

More details:

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

1H-Isoindole-4-carboxylic acid, 2,3-dihydro-5,7-dihydroxy-3-oxo-6-[(4E,6E)-3-oxo-4,6-tetradecadien-1-yl]- [ACD/Index Name]
5,7-Dihydroxy-3-oxo-6-[(4E,6E)-3-oxo-4,6-tetradecadien-1-yl]-4-isoindolincarbonsäure [German] [ACD/IUPAC Name]
5,7-Dihydroxy-3-oxo-6-[(4E,6E)-3-oxo-4,6-tetradecadien-1-yl]-4-isoindolinecarboxylic acid [ACD/IUPAC Name]
Acide 5,7-dihydroxy-3-oxo-6-[(4E,6E)-3-oxo-4,6-tétradécadién-1-yl]-4-isoindolinecarboxylique [French] [ACD/IUPAC Name]
Xylactam C

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

Density: 1.2±0.1 g/cm3
Boiling Point: 733.2±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 112.3±3.0 kJ/mol
Flash Point: 397.2±32.9 °C
Index of Refraction: 1.590
Molar Refractivity: 113.3±0.3 cm3
#H bond acceptors: 7
#H bond donors: 4
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 0
ACD/LogP: 3.94
ACD/LogD (pH 5.5): 2.12
ACD/BCF (pH 5.5): 4.53
ACD/KOC (pH 5.5): 14.22
ACD/LogD (pH 7.4): 1.87
ACD/BCF (pH 7.4): 2.53
ACD/KOC (pH 7.4): 7.95
Polar Surface Area: 124 Å2
Polarizability: 44.9±0.5 10-24cm3
Surface Tension: 55.5±3.0 dyne/cm
Molar Volume: 335.7±3.0 cm3

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