ChemSpider 2D Image | (2Z)-2-(7-Methoxy-1,3-benzodioxol-5-yl)-4-(4-methoxy-3-methylphenyl)-4-oxo-3-(2,3,4-trimethoxybenzyl)-2-butenoic acid | C30H30O10

(2Z)-2-(7-Methoxy-1,3-benzodioxol-5-yl)-4-(4-methoxy-3-methylphenyl)-4-oxo-3-(2,3,4-trimethoxybenzyl)-2-butenoic acid

  • Molecular FormulaC30H30O10
  • Average mass550.553 Da
  • Monoisotopic mass550.183899 Da
  • ChemSpider ID25054470

  • Double-bond stereo - Double-bond stereo

More details:

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

(2Z)-2-(7-Methoxy-1,3-benzodioxol-5-yl)-4-(4-methoxy-3-methylphenyl)-4-oxo-3-(2,3,4-trimethoxybenzyl)-2-butenoic acid [ACD/IUPAC Name]
(2Z)-2-(7-Methoxy-1,3-benzodioxol-5-yl)-4-(4-methoxy-3-methylphenyl)-4-oxo-3-(2,3,4-trimethoxybenzyl)-2-butensäure [German] [ACD/IUPAC Name]
1,3-Benzodioxole-5-acetic acid, 7-methoxy-α-[2-(4-methoxy-3-methylphenyl)-2-oxo-1-[(2,3,4-trimethoxyphenyl)methyl]ethylidene]-, (αZ)- [ACD/Index Name]
Acide (2Z)-2-(7-méthoxy-1,3-benzodioxol-5-yl)-4-(4-méthoxy-3-méthylphényl)-4-oxo-3-(2,3,4-triméthoxybenzyl)-2-buténoïque [French] [ACD/IUPAC Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 688.5±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 106.0±3.0 kJ/mol
Flash Point: 222.3±25.0 °C
Index of Refraction: 1.593
Molar Refractivity: 145.3±0.3 cm3
#H bond acceptors: 10
#H bond donors: 1
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 3
ACD/LogP: 6.51
ACD/LogD (pH 5.5): 1.01
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 2.88
ACD/LogD (pH 7.4): 0.48
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 119 Å2
Polarizability: 57.6±0.5 10-24cm3
Surface Tension: 49.5±3.0 dyne/cm
Molar Volume: 428.8±3.0 cm3

Click to predict properties on the Chemicalize site


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