ChemSpider 2D Image | 3-(3,4-Dihydroxyphenyl)-2-{[(2Z)-3-(3,4-dihydroxyphenyl)-2-propenoyl]oxy}propanoic acid | C18H16O8

3-(3,4-Dihydroxyphenyl)-2-{[(2Z)-3-(3,4-dihydroxyphenyl)-2-propenoyl]oxy}propanoic acid

  • Molecular FormulaC18H16O8
  • Average mass360.315 Da
  • Monoisotopic mass360.084503 Da
  • ChemSpider ID21467377

  • Double-bond stereo - Double-bond stereo

More details:

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

3-(3,4-Dihydroxyphenyl)-2-{[(2Z)-3-(3,4-dihydroxyphenyl)-2-propenoyl]oxy}propanoic acid [ACD/IUPAC Name]
3-(3,4-Dihydroxyphenyl)-2-{[(2Z)-3-(3,4-dihydroxyphenyl)-2-propenoyl]oxy}propansäure [German] [ACD/IUPAC Name]
Acide 3-(3,4-dihydroxyphényl)-2-{[(2Z)-3-(3,4-dihydroxyphényl)-2-propenoyl]oxy}propanoïque [French] [ACD/IUPAC Name]
Benzenepropanoic acid, α-[[(2Z)-3-(3,4-dihydroxyphenyl)-1-oxo-2-propen-1-yl]oxy]-3,4-dihydroxy- [ACD/Index Name]
(Z)-3-(3,4-dihydroxyphenyl)-2-((3-(3,4-dihydroxyphenyl)acryloyl)oxy)propanoic acid
3-(3,4-dihydroxyphenyl)-2-[(Z)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxypropanoic acid
537-15-5 [RN]
AKOS004904427
MFCD30177049
Rosmarinic acid [Wiki]
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.5±0.1 g/cm3
    Boiling Point: 694.7±55.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.3 mmHg at 25°C
    Enthalpy of Vaporization: 106.9±3.0 kJ/mol
    Flash Point: 254.5±25.0 °C
    Index of Refraction: 1.714
    Molar Refractivity: 91.4±0.3 cm3
    #H bond acceptors: 8
    #H bond donors: 5
    #Freely Rotating Bonds: 7
    #Rule of 5 Violations: 1
    ACD/LogP: 1.70
    ACD/LogD (pH 5.5): -1.14
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 1.00
    ACD/LogD (pH 7.4): -2.11
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 145 Å2
    Polarizability: 36.2±0.5 10-24cm3
    Surface Tension: 84.4±3.0 dyne/cm
    Molar Volume: 232.8±3.0 cm3

    Click to predict properties on the Chemicalize site


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