ChemSpider 2D Image | (2Z)-2-(1,3-Benzodioxol-5-yl)-4-(4-methoxy-3-methylphenyl)-4-oxo-3-(3,4,5-trimethoxybenzyl)-2-butenoic acid | C29H28O9

(2Z)-2-(1,3-Benzodioxol-5-yl)-4-(4-methoxy-3-methylphenyl)-4-oxo-3-(3,4,5-trimethoxybenzyl)-2-butenoic acid

  • Molecular FormulaC29H28O9
  • Average mass520.527 Da
  • Monoisotopic mass520.173340 Da
  • ChemSpider ID8943611

  • Double-bond stereo - Double-bond stereo

More details:

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

(2Z)-2-(1,3-Benzodioxol-5-yl)-4-(4-methoxy-3-methylphenyl)-4-oxo-3-(3,4,5-trimethoxybenzyl)-2-butenoic acid [ACD/IUPAC Name]
(2Z)-2-(1,3-Benzodioxol-5-yl)-4-(4-methoxy-3-methylphenyl)-4-oxo-3-(3,4,5-trimethoxybenzyl)-2-butensäure [German] [ACD/IUPAC Name]
1,3-Benzodioxole-5-acetic acid, α-[2-(4-methoxy-3-methylphenyl)-2-oxo-1-[(3,4,5-trimethoxyphenyl)methyl]ethylidene]-, (αZ)- [ACD/Index Name]
Acide (2Z)-2-(1,3-benzodioxol-5-yl)-4-(4-méthoxy-3-méthylphényl)-4-oxo-3-(3,4,5-triméthoxybenzyl)-2-buténoïque [French] [ACD/IUPAC Name]
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL1204674/

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

Density: 1.3±0.1 g/cm3
Boiling Point: 675.1±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 104.1±3.0 kJ/mol
Flash Point: 220.9±25.0 °C
Index of Refraction: 1.601
Molar Refractivity: 138.6±0.3 cm3
#H bond acceptors: 9
#H bond donors: 1
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 6.28
ACD/LogD (pH 5.5): 1.65
ACD/BCF (pH 5.5): 2.00
ACD/KOC (pH 5.5): 7.90
ACD/LogD (pH 7.4): 0.95
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.56
Polar Surface Area: 110 Å2
Polarizability: 55.0±0.5 10-24cm3
Surface Tension: 50.8±3.0 dyne/cm
Molar Volume: 404.8±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement