ChemSpider 2D Image | 3-(1,3-Benzodioxol-5-yl)-5-methoxybenzoic acid | C15H12O5

3-(1,3-Benzodioxol-5-yl)-5-methoxybenzoic acid

  • Molecular FormulaC15H12O5
  • Average mass272.253 Da
  • Monoisotopic mass272.068481 Da
  • ChemSpider ID28534825

More details:






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

3-(1,3-Benzodioxol-5-yl)-5-methoxybenzoesäure [German] [ACD/IUPAC Name]
3-(1,3-Benzodioxol-5-yl)-5-methoxybenzoic acid [ACD/IUPAC Name]
Acide 3-(1,3-benzodioxol-5-yl)-5-méthoxybenzoïque [French] [ACD/IUPAC Name]
Benzoic acid, 3-(1,3-benzodioxol-5-yl)-5-methoxy- [ACD/Index Name]
[1261960-47-7]
1261960-47-7 [RN]
3-(2H-1,3-Benzodioxol-5-yl)-5-methoxybenzoic acid
3-(Benzo[d][1,3]dioxol-5-yl)-5-methoxybenzoic acid
5-METHOXY-3-(3,4-METHYLENEDIOXYPHENYL)BENZOIC ACID
5-Methoxy-3-(3,4-methylenedioxyphenyl)benzoicacid
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.3±0.1 g/cm3
Boiling Point: 477.5±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 78.1±3.0 kJ/mol
Flash Point: 183.7±22.2 °C
Index of Refraction: 1.615
Molar Refractivity: 70.6±0.3 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 3.67
ACD/LogD (pH 5.5): 1.94
ACD/BCF (pH 5.5): 7.62
ACD/KOC (pH 5.5): 55.42
ACD/LogD (pH 7.4): 0.49
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.97
Polar Surface Area: 65 Å2
Polarizability: 28.0±0.5 10-24cm3
Surface Tension: 56.4±3.0 dyne/cm
Molar Volume: 202.4±3.0 cm3

Click to predict properties on the Chemicalize site






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