ChemSpider 2D Image | Jasmonic acid | C12H18O3

Jasmonic acid

  • Molecular FormulaC12H18O3
  • Average mass210.270 Da
  • Monoisotopic mass210.125595 Da
  • ChemSpider ID23339287

  • Double-bond stereo - Double-bond stereo

More details:

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

{3-Oxo-2-[(2Z)-2-penten-1-yl]cyclopentyl}acetic acid [ACD/IUPAC Name]
{3-Oxo-2-[(2Z)-2-penten-1-yl]cyclopentyl}essigsäure [German] [ACD/IUPAC Name]
{3-Oxo-2-[(2Z)-pent-2-en-1-yl]cyclopentyl}acetic acid
Acide {3-oxo-2-[(2Z)-2-pentén-1-yl]cyclopentyl}acétique [French] [ACD/IUPAC Name]
Cyclopentaneacetic acid, 3-oxo-2-[(2Z)-2-penten-1-yl]- [ACD/Index Name]
Jasmonic acid [Wiki]
MFCD00189365
(-)-jasmonate
(-)-Jasmonic acid
(+)-7-isojasmonic acid
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

C08491 [DBID]

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

    Density: 1.1±0.1 g/cm3
    Boiling Point: 358.1±15.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.7 mmHg at 25°C
    Enthalpy of Vaporization: 66.3±6.0 kJ/mol
    Flash Point: 184.6±16.9 °C
    Index of Refraction: 1.491
    Molar Refractivity: 57.4±0.3 cm3
    #H bond acceptors: 3
    #H bond donors: 1
    #Freely Rotating Bonds: 5
    #Rule of 5 Violations: 0
    ACD/LogP: 1.66
    ACD/LogD (pH 5.5): 0.72
    ACD/BCF (pH 5.5): 1.18
    ACD/KOC (pH 5.5): 20.09
    ACD/LogD (pH 7.4): -1.08
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 54 Å2
    Polarizability: 22.7±0.5 10-24cm3
    Surface Tension: 38.0±3.0 dyne/cm
    Molar Volume: 198.1±3.0 cm3

    Click to predict properties on the Chemicalize site


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