ChemSpider 2D Image | (2S)-Chloro[(2R)-5-oxo-2,5-dihydro-2-furanyl]acetic acid | C6H5ClO4

(2S)-Chloro[(2R)-5-oxo-2,5-dihydro-2-furanyl]acetic acid

  • Molecular FormulaC6H5ClO4
  • Average mass176.555 Da
  • Monoisotopic mass175.987640 Da
  • ChemSpider ID35033951

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(2s)-2-Chloranyl-2-[(2r)-5-Oxidanylidene-2h-Furan-2-Yl]ethanoic Acid
(2S)-Chlor[(2R)-5-oxo-2,5-dihydro-2-furanyl]essigsäure [German] [ACD/IUPAC Name]
(2S)-Chloro[(2R)-5-oxo-2,5-dihydro-2-furanyl]acetic acid [ACD/IUPAC Name]
2-Furanacetic acid, α-chloro-2,5-dihydro-5-oxo-, (αS,2R)- [ACD/Index Name]
Acide (2S)-chloro[(2R)-5-oxo-2,5-dihydro-2-furanyl]acétique [French] [ACD/IUPAC Name]
157762-78-2 [RN]
K6H

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

Density: 1.6±0.1 g/cm3
Boiling Point: 452.1±20.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 78.0±6.0 kJ/mol
Flash Point: 227.2±21.8 °C
Index of Refraction: 1.550
Molar Refractivity: 35.4±0.3 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: -0.85
ACD/LogD (pH 5.5): -3.51
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.84
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 64 Å2
Polarizability: 14.0±0.5 10-24cm3
Surface Tension: 61.1±3.0 dyne/cm
Molar Volume: 111.2±3.0 cm3

Click to predict properties on the Chemicalize site


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