ChemSpider 2D Image | (4-Hydroxy-1,3-benzodioxol-5-yl)(oxo)acetic acid | C9H6O6

(4-Hydroxy-1,3-benzodioxol-5-yl)(oxo)acetic acid

  • Molecular FormulaC9H6O6
  • Average mass210.140 Da
  • Monoisotopic mass210.016434 Da
  • ChemSpider ID61972423

More details:

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

(4-Hydroxy-1,3-benzodioxol-5-yl)(oxo)acetic acid [ACD/IUPAC Name]
(4-Hydroxy-1,3-benzodioxol-5-yl)(oxo)essigsäure [German] [ACD/IUPAC Name]
1,3-Benzodioxole-5-acetic acid, 4-hydroxy-α-oxo- [ACD/Index Name]
Acide (4-hydroxy-1,3-benzodioxol-5-yl)(oxo)acétique [French] [ACD/IUPAC Name]
1896188-82-1 [RN]

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

Density: 1.7±0.1 g/cm3
Boiling Point: 415.3±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 70.5±3.0 kJ/mol
Flash Point: 174.0±22.2 °C
Index of Refraction: 1.654
Molar Refractivity: 45.9±0.3 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 0.16
ACD/LogD (pH 5.5): -2.97
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.74
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 93 Å2
Polarizability: 18.2±0.5 10-24cm3
Surface Tension: 89.1±3.0 dyne/cm
Molar Volume: 125.2±3.0 cm3

Click to predict properties on the Chemicalize site


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