ChemSpider 2D Image | (7E)-7-[(Allyloxy)imino]-12,14-dichloroabieta-8,11,13-trien-18-oic acid | C23H29Cl2NO3

(7E)-7-[(Allyloxy)imino]-12,14-dichloroabieta-8,11,13-trien-18-oic acid

  • Molecular FormulaC23H29Cl2NO3
  • Average mass438.387 Da
  • Monoisotopic mass437.152435 Da
  • ChemSpider ID24695408

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(7E)-7-[(Allyloxy)imino]-12,14-dichlorabieta-8,11,13-trien-18-säure [German] [ACD/IUPAC Name]
(7E)-7-[(Allyloxy)imino]-12,14-dichloroabieta-8,11,13-trien-18-oic acid [ACD/IUPAC Name]
1-Phenanthrenecarboxylic acid, 6,8-dichloro-1,2,3,4,4a,9,10,10a-octahydro-1,4a-dimethyl-7-(1-methylethyl)-9-[(2-propen-1-yloxy)imino]-, (1R,4aS,9E,10aR)- [ACD/Index Name]
Acide (7E)-7-[(allyloxy)imino]-12,14-dichloroabiéta-8,11,13-trién-18-oïque [French] [ACD/IUPAC Name]
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL473819/

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

Density: 1.3±0.1 g/cm3
Boiling Point: 540.4±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 86.1±3.0 kJ/mol
Flash Point: 280.6±32.9 °C
Index of Refraction: 1.584
Molar Refractivity: 116.4±0.5 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 7.16
ACD/LogD (pH 5.5): 5.82
ACD/BCF (pH 5.5): 8562.18
ACD/KOC (pH 5.5): 11047.97
ACD/LogD (pH 7.4): 4.03
ACD/BCF (pH 7.4): 135.90
ACD/KOC (pH 7.4): 175.35
Polar Surface Area: 59 Å2
Polarizability: 46.1±0.5 10-24cm3
Surface Tension: 40.6±7.0 dyne/cm
Molar Volume: 347.9±7.0 cm3

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