ChemSpider 2D Image | 5-(3-Furyl)-2-methyl-5-oxopentanoic acid | C10H12O4

5-(3-Furyl)-2-methyl-5-oxopentanoic acid

  • Molecular FormulaC10H12O4
  • Average mass196.200 Da
  • Monoisotopic mass196.073563 Da
  • ChemSpider ID35014005

More details:

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

3-Furanpentanoic acid, α-methyl-δ-oxo- [ACD/Index Name]
496-07-1 [RN]
5-(3-Furyl)-2-methyl-5-oxopentanoic acid [ACD/IUPAC Name]
5-(3-Furyl)-2-methyl-5-oxopentansäure [German] [ACD/IUPAC Name]
Acide 5-(3-furyl)-2-méthyl-5-oxopentanoïque [French] [ACD/IUPAC Name]
(S)-Batatic acid
5-(furan-3-yl)-2-methyl-5-oxopentanoic acid
Batatic acid

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

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

Density: 1.2±0.1 g/cm3
Boiling Point: 364.1±22.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 64.4±3.0 kJ/mol
Flash Point: 174.0±22.3 °C
Index of Refraction: 1.502
Molar Refractivity: 48.6±0.3 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 0.99
ACD/LogD (pH 5.5): 0.30
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 13.05
ACD/LogD (pH 7.4): -1.51
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 68 Å2
Polarizability: 19.3±0.5 10-24cm3
Surface Tension: 44.1±3.0 dyne/cm
Molar Volume: 164.8±3.0 cm3

Click to predict properties on the Chemicalize site


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