ChemSpider 2D Image | (6-Hydroxy-2,2-dimethyl-4-oxo-3,4-dihydro-2H-chromen-8-yl)acetic acid | C13H14O5

(6-Hydroxy-2,2-dimethyl-4-oxo-3,4-dihydro-2H-chromen-8-yl)acetic acid

  • Molecular FormulaC13H14O5
  • Average mass250.247 Da
  • Monoisotopic mass250.084122 Da
  • ChemSpider ID78434688

More details:

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

(6-Hydroxy-2,2-dimethyl-4-oxo-3,4-dihydro-2H-chromen-8-yl)acetic acid [ACD/IUPAC Name]
(6-Hydroxy-2,2-dimethyl-4-oxo-3,4-dihydro-2H-chromen-8-yl)essigsäure [German] [ACD/IUPAC Name]
2H-1-Benzopyran-8-acetic acid, 3,4-dihydro-6-hydroxy-2,2-dimethyl-4-oxo- [ACD/Index Name]
Acide (6-hydroxy-2,2-diméthyl-4-oxo-3,4-dihydro-2H-chromén-8-yl)acétique [French] [ACD/IUPAC Name]
Pestaloficiol R

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

Density: 1.3±0.1 g/cm3
Boiling Point: 506.6±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 81.8±3.0 kJ/mol
Flash Point: 198.2±23.6 °C
Index of Refraction: 1.579
Molar Refractivity: 62.5±0.3 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 1.95
ACD/LogD (pH 5.5): 0.37
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 8.49
ACD/LogD (pH 7.4): -1.38
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 84 Å2
Polarizability: 24.8±0.5 10-24cm3
Surface Tension: 54.1±3.0 dyne/cm
Molar Volume: 188.1±3.0 cm3

Click to predict properties on the Chemicalize site


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