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Search term: PZLFGUNKKYBSON (Found by InChIKey (skeleton match))
ChemSpider 2D Image | Methyl (3R)-2-oxo-2,3,3a,4,5,7a-hexahydro-1-benzofuran-3-carboxylate | C10H12O4

Methyl (3R)-2-oxo-2,3,3a,4,5,7a-hexahydro-1-benzofuran-3-carboxylate

  • Molecular FormulaC10H12O4
  • Average mass196.200 Da
  • Monoisotopic mass196.073563 Da
  • ChemSpider ID28416886

  • defined stereocentres - 1 of 3 defined stereocentres

More details:

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

(3R)-2-Oxo-2,3,3a,4,5,7a-hexahydro-1-benzofurane-3-carboxylate de méthyle [French] [ACD/IUPAC Name]
3-Benzofurancarboxylic acid, 2,3,3a,4,5,7a-hexahydro-2-oxo-, methyl ester, (3R)- [ACD/Index Name]
Methyl (3R)-2-oxo-2,3,3a,4,5,7a-hexahydro-1-benzofuran-3-carboxylate [ACD/IUPAC Name]
Methyl-(3R)-2-oxo-2,3,3a,4,5,7a-hexahydro-1-benzofuran-3-carboxylat [German] [ACD/IUPAC Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 335.0±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.7 mmHg at 25°C
Enthalpy of Vaporization: 57.8±3.0 kJ/mol
Flash Point: 171.9±26.3 °C
Index of Refraction: 1.505
Molar Refractivity: 47.2±0.3 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 0.44
ACD/LogD (pH 5.5): 0.71
ACD/BCF (pH 5.5): 2.03
ACD/KOC (pH 5.5): 57.68
ACD/LogD (pH 7.4): 0.71
ACD/BCF (pH 7.4): 2.03
ACD/KOC (pH 7.4): 57.68
Polar Surface Area: 53 Å2
Polarizability: 18.7±0.5 10-24cm3
Surface Tension: 41.5±3.0 dyne/cm
Molar Volume: 159.1±3.0 cm3

Click to predict properties on the Chemicalize site


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