ChemSpider 2D Image | (4,7-Dimethoxy-1,3-benzodioxol-5-yl)acetic acid | C11H12O6

(4,7-Dimethoxy-1,3-benzodioxol-5-yl)acetic acid

  • Molecular FormulaC11H12O6
  • Average mass240.209 Da
  • Monoisotopic mass240.063385 Da
  • ChemSpider ID22336958

More details:

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

(4,7-Dimethoxy-1,3-benzodioxol-5-yl)acetic acid [ACD/IUPAC Name]
(4,7-Dimethoxy-1,3-benzodioxol-5-yl)essigsäure [German] [ACD/IUPAC Name]
1,3-Benzodioxole-5-acetic acid, 4,7-dimethoxy- [ACD/Index Name]
Acide (4,7-diméthoxy-1,3-benzodioxol-5-yl)acétique [French] [ACD/IUPAC Name]
(4,7-Dimethoxy-benzo[1,3]dioxol-5-yl)-acetic acid
1011406-27-1 [RN]
2-(4,7-dimethoxy-2H-benzo[3,4-d]1,3-dioxolan-5-yl)acetic acid
2-(4,7-dimethoxy-2H-benzo[d]1,3-dioxolan-5-yl)acetic acid

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

Density: 1.4±0.1 g/cm3
Boiling Point: 391.9±37.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 67.7±3.0 kJ/mol
Flash Point: 153.7±20.0 °C
Index of Refraction: 1.559
Molar Refractivity: 56.9±0.3 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 1.75
ACD/LogD (pH 5.5): 0.04
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 4.97
ACD/LogD (pH 7.4): -1.68
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 74 Å2
Polarizability: 22.6±0.5 10-24cm3
Surface Tension: 52.7±3.0 dyne/cm
Molar Volume: 176.1±3.0 cm3

Click to predict properties on the Chemicalize site


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