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Search term: 78435955 (Found by CSID)
ChemSpider 2D Image | 5-Hydroxy-7-(hydroxymethyl)-2,2-dimethyl-2H-chromene-6-carboxylic acid | C13H14O5

5-Hydroxy-7-(hydroxymethyl)-2,2-dimethyl-2H-chromene-6-carboxylic acid

  • Molecular FormulaC13H14O5
  • Average mass250.247 Da
  • Monoisotopic mass250.084122 Da
  • ChemSpider ID78435955

More details:

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

2H-1-Benzopyran-6-carboxylic acid, 5-hydroxy-7-(hydroxymethyl)-2,2-dimethyl- [ACD/Index Name]
5-Hydroxy-7-(hydroxymethyl)-2,2-dimethyl-2H-chromen-6-carbonsäure [German] [ACD/IUPAC Name]
5-Hydroxy-7-(hydroxymethyl)-2,2-dimethyl-2H-chromene-6-carboxylic acid [ACD/IUPAC Name]
Acide 5-hydroxy-7-(hydroxyméthyl)-2,2-diméthyl-2H-chromène-6-carboxylique [French] [ACD/IUPAC Name]
Salfredin 4

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

Density: 1.4±0.1 g/cm3
Boiling Point: 435.6±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 72.9±3.0 kJ/mol
Flash Point: 168.0±22.2 °C
Index of Refraction: 1.616
Molar Refractivity: 64.2±0.3 cm3
#H bond acceptors: 5
#H bond donors: 3
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 3.31
ACD/LogD (pH 5.5): 0.04
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.12
ACD/LogD (pH 7.4): -0.16
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 87 Å2
Polarizability: 25.5±0.5 10-24cm3
Surface Tension: 65.7±3.0 dyne/cm
Molar Volume: 183.8±3.0 cm3

Click to predict properties on the Chemicalize site


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