ChemSpider 2D Image | 4-[1-(6-Hydroxy-1,3-benzodioxol-5-yl)-3-methoxy-3-oxopropyl]benzoic acid | C18H16O7

4-[1-(6-Hydroxy-1,3-benzodioxol-5-yl)-3-methoxy-3-oxopropyl]benzoic acid

  • Molecular FormulaC18H16O7
  • Average mass344.315 Da
  • Monoisotopic mass344.089600 Da
  • ChemSpider ID34497174

More details:






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

1,3-Benzodioxole-5-propanoic acid, β-(4-carboxyphenyl)-6-hydroxy-, α-methyl ester [ACD/Index Name]
4-[1-(6-Hydroxy-1,3-benzodioxol-5-yl)-3-methoxy-3-oxopropyl]benzoesäure [German] [ACD/IUPAC Name]
4-[1-(6-Hydroxy-1,3-benzodioxol-5-yl)-3-methoxy-3-oxopropyl]benzoic acid [ACD/IUPAC Name]
Acide 4-[1-(6-hydroxy-1,3-benzodioxol-5-yl)-3-méthoxy-3-oxopropyl]benzoïque [French] [ACD/IUPAC Name]
1676097-84-9 [RN]
4-(1-(6-hydroxybenzo[d][1,3]dioxol-5-yl)-3-methoxy-3-oxopropyl)benzoic acid
C18H16O7

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

Density: 1.4±0.1 g/cm3
Boiling Point: 554.2±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 87.9±3.0 kJ/mol
Flash Point: 202.9±23.6 °C
Index of Refraction: 1.622
Molar Refractivity: 86.2±0.3 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 2.74
ACD/LogD (pH 5.5): 1.53
ACD/BCF (pH 5.5): 4.03
ACD/KOC (pH 5.5): 38.85
ACD/LogD (pH 7.4): -0.01
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.12
Polar Surface Area: 102 Å2
Polarizability: 34.2±0.5 10-24cm3
Surface Tension: 64.5±3.0 dyne/cm
Molar Volume: 244.7±3.0 cm3

Click to predict properties on the Chemicalize site






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