ChemSpider 2D Image | Methyl 8-hydroxy-2,2-dimethyl-2H-chromene-6-carboxylate | C13H14O4

Methyl 8-hydroxy-2,2-dimethyl-2H-chromene-6-carboxylate

  • Molecular FormulaC13H14O4
  • Average mass234.248 Da
  • Monoisotopic mass234.089203 Da
  • ChemSpider ID24704013

More details:

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

2H-1-Benzopyran-6-carboxylic acid, 8-hydroxy-2,2-dimethyl-, methyl ester [ACD/Index Name]
8-Hydroxy-2,2-diméthyl-2H-chromène-6-carboxylate de méthyle [French] [ACD/IUPAC Name]
Methyl 8-hydroxy-2,2-dimethyl-2H-1-benzopyran-6-carboxylate
Methyl 8-hydroxy-2,2-dimethyl-2H-chromene-6-carboxylate [ACD/IUPAC Name]
Methyl-8-hydroxy-2,2-dimethyl-2H-chromen-6-carboxylat [German] [ACD/IUPAC Name]
Methyl-8-hydroxy-2,2-dimethyl-2H-chromene-6-carboxylate
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL489133/
  • Miscellaneous

    • Compound Source:

      Isolated from a plant Susan Richardson [Structure found in ChemSpider and confirmed from DOI: 10.1248/bpb.31.538] , [Structure found on ChemSpider, confirmed from name-to-structure]
      Piper aduncum (Piperaceae) Susan Richardson [Structure found in ChemSpider and confirmed from DOI: 10.1248/bpb.31.538] , [Structure found on ChemSpider, confirmed from name-to-structure]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 389.3±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 66.4±3.0 kJ/mol
Flash Point: 149.0±21.4 °C
Index of Refraction: 1.554
Molar Refractivity: 62.6±0.3 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 4.63
ACD/LogD (pH 5.5): 3.52
ACD/BCF (pH 5.5): 280.85
ACD/KOC (pH 5.5): 1968.41
ACD/LogD (pH 7.4): 3.50
ACD/BCF (pH 7.4): 263.33
ACD/KOC (pH 7.4): 1845.68
Polar Surface Area: 56 Å2
Polarizability: 24.8±0.5 10-24cm3
Surface Tension: 47.3±3.0 dyne/cm
Molar Volume: 195.3±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement