ChemSpider 2D Image | 3-Chloro-4,6-dihydroxy-5-[(2E,6E,8S)-8-hydroxy-3,7-dimethyl-2,6-nonadien-1-yl]-2-methylbenzaldehyde | C19H25ClO4

3-Chloro-4,6-dihydroxy-5-[(2E,6E,8S)-8-hydroxy-3,7-dimethyl-2,6-nonadien-1-yl]-2-methylbenzaldehyde

  • Molecular FormulaC19H25ClO4
  • Average mass352.852 Da
  • Monoisotopic mass352.144135 Da
  • ChemSpider ID35035779
  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 1 of 1 defined stereocentres


More details:






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

3-Chlor-4,6-dihydroxy-5-[(2E,6E,8S)-8-hydroxy-3,7-dimethyl-2,6-nonadien-1-yl]-2-methylbenzaldehyd [German] [ACD/IUPAC Name]
3-Chloro-4,6-dihydroxy-5-[(2E,6E,8S)-8-hydroxy-3,7-dimethyl-2,6-nonadien-1-yl]-2-methylbenzaldehyde [ACD/IUPAC Name]
3-Chloro-4,6-dihydroxy-5-[(2E,6E,8S)-8-hydroxy-3,7-diméthyl-2,6-nonadién-1-yl]-2-méthylbenzaldéhyde [French] [ACD/IUPAC Name]
3-Chloro-4,6-Dihydroxy-5-[(2e,6e,8s)-8-Hydroxy-3,7-Dimethylnona-2,6-Dien-1-Yl]-2-Methylbenzaldehyde
Benzaldehyde, 3-chloro-4,6-dihydroxy-5-[(2E,6E,8S)-8-hydroxy-3,7-dimethyl-2,6-nonadien-1-yl]-2-methyl- [ACD/Index Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.2±0.1 g/cm3
Boiling Point: 532.0±49.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 85.0±3.0 kJ/mol
Flash Point: 275.6±29.8 °C
Index of Refraction: 1.593
Molar Refractivity: 99.0±0.3 cm3
#H bond acceptors: 4
#H bond donors: 3
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 5.57
ACD/LogD (pH 5.5): 5.31
ACD/BCF (pH 5.5): 6141.00
ACD/KOC (pH 5.5): 17175.77
ACD/LogD (pH 7.4): 4.22
ACD/BCF (pH 7.4): 499.62
ACD/KOC (pH 7.4): 1397.39
Polar Surface Area: 78 Å2
Polarizability: 39.3±0.5 10-24cm3
Surface Tension: 48.5±3.0 dyne/cm
Molar Volume: 292.3±3.0 cm3

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