ChemSpider 2D Image | 3-[(1S,4R)-4-Hydroxy-2-cyclohexen-1-yl]-2-oxopropanoate | C9H11O4

3-[(1S,4R)-4-Hydroxy-2-cyclohexen-1-yl]-2-oxopropanoate

  • Molecular FormulaC9H11O4
  • Average mass183.182 Da
  • Monoisotopic mass183.066284 Da
  • ChemSpider ID76962910

  • Charge - Charge

    defined stereocentres - 2 of 2 defined stereocentres

More details:

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

2-Cyclohexene-1-propanoic acid, 4-hydroxy-α-oxo-, ion(1-), (1S,4R)- [ACD/Index Name]
3-[(1S,4R)-4-Hydroxy-2-cyclohexen-1-yl]-2-oxopropanoat [German] [ACD/IUPAC Name]
3-[(1S,4R)-4-Hydroxy-2-cyclohexen-1-yl]-2-oxopropanoate [ACD/IUPAC Name]
3-[(1S,4R)-4-Hydroxy-2-cyclohexén-1-yl]-2-oxopropanoate [French] [ACD/IUPAC Name]
3-[(1S,4R)-4-hydroxycyclohex-2-en-1-yl]-2-oxopropanoate
3-[(1S,4R)-4-hydroxycyclohex-2-en-1-yl]pyruvate
4S-H4HPP

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

Density:
Boiling Point: 343.7±25.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 68.1±6.0 kJ/mol
Flash Point: 175.8±19.7 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: -0.94
ACD/LogD (pH 5.5): -3.08
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.90
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 77 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


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