ChemSpider 2D Image | {2-[(2-Acetoxybenzoyl)oxy]acetoxy}acetic acid | C13H12O8

{2-[(2-Acetoxybenzoyl)oxy]acetoxy}acetic acid

  • Molecular FormulaC13H12O8
  • Average mass296.230 Da
  • Monoisotopic mass296.053223 Da
  • ChemSpider ID28605372

More details:

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

{2-[(2-Acetoxybenzoyl)oxy]acetoxy}acetic acid [ACD/IUPAC Name]
{2-[(2-Acetoxybenzoyl)oxy]acetoxy}essigsäure [German] [ACD/IUPAC Name]
Acide {2-[(2-acétoxybenzoyl)oxy]acétoxy}acétique [French] [ACD/IUPAC Name]
Benzoic acid, 2-(acetyloxy)-, 2-(carboxymethoxy)-2-oxoethyl ester [ACD/Index Name]
2-[2-(2-ACETOXYBENZOYL)OXYACETYL]OXYACETIC 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: 488.3±35.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 79.5±3.0 kJ/mol
Flash Point: 185.3±19.4 °C
Index of Refraction: 1.539
Molar Refractivity: 66.6±0.3 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 0
ACD/LogP: 0.98
ACD/LogD (pH 5.5): -1.99
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.75
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 116 Å2
Polarizability: 26.4±0.5 10-24cm3
Surface Tension: 55.2±3.0 dyne/cm
Molar Volume: 212.6±3.0 cm3

Click to predict properties on the Chemicalize site


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