ChemSpider 2D Image | CAFFEIC ACID-13C3 | C613C3H8O4


  • Molecular FormulaC613C3H8O4
  • Average mass183.135 Da
  • Monoisotopic mass183.052322 Da
  • ChemSpider ID28565214
  • Double-bond stereo - Double-bond stereo

    Non-standard isotope - Non-standard isotope

More details:

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

(2E)-3-(3,4-Dihydroxyphenyl)(13C3)-2-propenoic acid [ACD/IUPAC Name]
(2E)-3-(3,4-Dihydroxyphenyl)(13C3)-2-propensäure [German] [ACD/IUPAC Name]
1185245-82-2 [RN]
2-Propenoic-1,2,3-13C3 acid, 3-(3,4-dihydroxyphenyl)-, (2E)- [ACD/Index Name]
Acide (2E)-3-(3,4-dihydroxyphényl)(13C3)-2-propénoïque [French] [ACD/IUPAC Name]
(E)-3-(3,4-dihydroxyphenyl)acrylic-13C3 acid

    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

    Density: 1.5±0.1 g/cm3
    Boiling Point:
    Vapour Pressure:
    Enthalpy of Vaporization:
    Flash Point:
    Index of Refraction: 1.707
    Molar Refractivity: 47.5±0.3 cm3
    #H bond acceptors:
    #H bond donors:
    #Freely Rotating Bonds:
    #Rule of 5 Violations:
    ACD/LogD (pH 5.5):
    ACD/BCF (pH 5.5):
    ACD/KOC (pH 5.5):
    ACD/LogD (pH 7.4):
    ACD/BCF (pH 7.4):
    ACD/KOC (pH 7.4):
    Polar Surface Area:
    Polarizability: 18.8±0.5 10-24cm3
    Surface Tension: 77.8±3.0 dyne/cm
    Molar Volume: 121.9±3.0 cm3

    Click to predict properties on the Chemicalize site