ChemSpider 2D Image | MFCD00665990 | C9H8O6

MFCD00665990

  • Molecular FormulaC9H8O6
  • Average mass212.156 Da
  • Monoisotopic mass212.032089 Da
  • ChemSpider ID21491626

More details:

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

6-(Carboxymethyl)-2,3-dihydroxybenzoesäure [German] [ACD/IUPAC Name]
6-(Carboxymethyl)-2,3-dihydroxybenzoic acid [ACD/IUPAC Name]
Acide 6-(carboxyméthyl)-2,3-dihydroxybenzoïque [French] [ACD/IUPAC Name]
Benzeneacetic acid, 2-carboxy-3,4-dihydroxy- [ACD/Index Name]
MFCD00665990
857543-79-4 [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: 505.0±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 81.6±3.0 kJ/mol
Flash Point: 273.3±26.6 °C
Index of Refraction: 1.686
Molar Refractivity: 48.1±0.3 cm3
#H bond acceptors: 6
#H bond donors: 4
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 1.09
ACD/LogD (pH 5.5): -2.76
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.41
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 115 Å2
Polarizability: 19.1±0.5 10-24cm3
Surface Tension: 98.5±3.0 dyne/cm
Molar Volume: 126.3±3.0 cm3

Click to predict properties on the Chemicalize site


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