Found 7 results

Search term: BRDOSYLBBARPLO (Found by InChIKey (skeleton match))
ChemSpider 2D Image | (3S)-3-[(2R)-Tetrahydro-2-furanyl]butanoic acid | C8H14O3

(3S)-3-[(2R)-Tetrahydro-2-furanyl]butanoic acid

  • Molecular FormulaC8H14O3
  • Average mass158.195 Da
  • Monoisotopic mass158.094299 Da
  • ChemSpider ID98625327

  • defined stereocentres - 1 of 2 defined stereocentres

More details:

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

(3S)-3-[(2R)-Tetrahydro-2-furanyl]butanoic acid [ACD/IUPAC Name]
(3S)-3-[(2R)-Tetrahydro-2-furanyl]butansäure [German] [ACD/IUPAC Name]
2-Furanpropanoic acid, tetrahydro-β-methyl-, (βS,2R)- [ACD/Index Name]
Acide (3S)-3-[(2R)-tétrahydro-2-furanyl]butanoïque [French] [ACD/IUPAC Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 268.7±13.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 55.8±6.0 kJ/mol
Flash Point: 106.4±13.3 °C
Index of Refraction: 1.473
Molar Refractivity: 40.1±0.3 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 0.42
ACD/LogD (pH 5.5): -0.07
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 7.88
ACD/LogD (pH 7.4): -1.87
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 47 Å2
Polarizability: 15.9±0.5 10-24cm3
Surface Tension: 39.8±3.0 dyne/cm
Molar Volume: 143.0±3.0 cm3

Click to predict properties on the Chemicalize site


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