ChemSpider 2D Image | {3-Oxo-2-[(2E)-2-penten-1-yl]-1-cyclopenten-1-yl}acetic acid | C12H16O3

{3-Oxo-2-[(2E)-2-penten-1-yl]-1-cyclopenten-1-yl}acetic acid

  • Molecular FormulaC12H16O3
  • Average mass208.254 Da
  • Monoisotopic mass208.109940 Da
  • ChemSpider ID30776818

  • Double-bond stereo - Double-bond stereo

More details:

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

{3-Oxo-2-[(2E)-2-penten-1-yl]-1-cyclopenten-1-yl}acetic acid [ACD/IUPAC Name]
{3-Oxo-2-[(2E)-2-penten-1-yl]-1-cyclopenten-1-yl}essigsäure [German] [ACD/IUPAC Name]
1-Cyclopentene-1-acetic acid, 3-oxo-2-[(2E)-2-penten-1-yl]- [ACD/Index Name]
Acide {3-oxo-2-[(2E)-2-pentén-1-yl]-1-cyclopentén-1-yl}acétique [French] [ACD/IUPAC Name]
(Z)-3-Oxo-2-(2-pentenyl)-1-cyclopenteneacetic acid
{3-oxo-2-[(2E)-pent-2-en-1-yl]cyclopent-1-en-1-yl}acetic acid
120282-76-0 [RN]
2-{3-oxo-2-[(2E)-pent-2-en-1-yl]cyclopent-1-en-1-yl}acetic 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: 1.1±0.1 g/cm3
Boiling Point: 370.8±41.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 67.8±6.0 kJ/mol
Flash Point: 192.3±24.1 °C
Index of Refraction: 1.520
Molar Refractivity: 57.0±0.3 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 1.94
ACD/LogD (pH 5.5): 0.75
ACD/BCF (pH 5.5): 1.25
ACD/KOC (pH 5.5): 20.90
ACD/LogD (pH 7.4): -1.05
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 54 Å2
Polarizability: 22.6±0.5 10-24cm3
Surface Tension: 41.7±3.0 dyne/cm
Molar Volume: 187.4±3.0 cm3

Click to predict properties on the Chemicalize site


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