ChemSpider 2D Image | 4-(1,3-Benzodioxol-5-yl)-6-butoxy-2-(3,4-dimethoxyphenyl)-2H-chromene-3-carboxylic acid | C29H28O8

4-(1,3-Benzodioxol-5-yl)-6-butoxy-2-(3,4-dimethoxyphenyl)-2H-chromene-3-carboxylic acid

  • Molecular FormulaC29H28O8
  • Average mass504.528 Da
  • Monoisotopic mass504.178406 Da
  • ChemSpider ID9278293

More details:

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

2H-1-Benzopyran-3-carboxylic acid, 4-(1,3-benzodioxol-5-yl)-6-butoxy-2-(3,4-dimethoxyphenyl)- [ACD/Index Name]
4-(1,3-Benzodioxol-5-yl)-6-butoxy-2-(3,4-dimethoxyphenyl)-2H-chromen-3-carbonsäure [German] [ACD/IUPAC Name]
4-(1,3-Benzodioxol-5-yl)-6-butoxy-2-(3,4-dimethoxyphenyl)-2H-chromene-3-carboxylic acid [ACD/IUPAC Name]
Acide 4-(1,3-benzodioxol-5-yl)-6-butoxy-2-(3,4-diméthoxyphényl)-2H-chromène-3-carboxylique [French] [ACD/IUPAC Name]
4-Benzo[1,3]dioxol-5-yl-6-butoxy-2-(3,4-dimethoxy-phenyl)-2H-chromene-3-carboxylic acid
CHEMBL418473
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL418473/

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

Density: 1.3±0.1 g/cm3
Boiling Point: 629.0±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 97.8±3.0 kJ/mol
Flash Point: 205.7±25.0 °C
Index of Refraction: 1.607
Molar Refractivity: 134.7±0.3 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 8.13
ACD/LogD (pH 5.5): 4.04
ACD/BCF (pH 5.5): 240.20
ACD/KOC (pH 5.5): 506.47
ACD/LogD (pH 7.4): 2.46
ACD/BCF (pH 7.4): 6.44
ACD/KOC (pH 7.4): 13.58
Polar Surface Area: 93 Å2
Polarizability: 53.4±0.5 10-24cm3
Surface Tension: 51.5±3.0 dyne/cm
Molar Volume: 389.9±3.0 cm3

Click to predict properties on the Chemicalize site


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