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Search term: 78435355 (Found by CSID)
ChemSpider 2D Image | (2E)-1-[2,4-Dihydroxy-3-(2-hydroxyethyl)-6-methoxyphenyl]-2-buten-1-one | C13H16O5

(2E)-1-[2,4-Dihydroxy-3-(2-hydroxyethyl)-6-methoxyphenyl]-2-buten-1-one

  • Molecular FormulaC13H16O5
  • Average mass252.263 Da
  • Monoisotopic mass252.099777 Da
  • ChemSpider ID78435355

  • Double-bond stereo - Double-bond stereo

More details:

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

(2E)-1-[2,4-Dihydroxy-3-(2-hydroxyethyl)-6-methoxyphenyl]-2-buten-1-on [German] [ACD/IUPAC Name]
(2E)-1-[2,4-Dihydroxy-3-(2-hydroxyethyl)-6-methoxyphenyl]-2-buten-1-one [ACD/IUPAC Name]
(2E)-1-[2,4-Dihydroxy-3-(2-hydroxyéthyl)-6-méthoxyphényl]-2-butén-1-one [French] [ACD/IUPAC Name]
2-Buten-1-one, 1-[2,4-dihydroxy-3-(2-hydroxyethyl)-6-methoxyphenyl]-, (2E)- [ACD/Index Name]
(E)-1-[2,4-dihydroxy-3-(2-hydroxyethyl)-6-methoxyphenyl]but-2-en-1-one

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

Density: 1.3±0.1 g/cm3
Boiling Point: 477.1±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 78.1±3.0 kJ/mol
Flash Point: 182.9±22.2 °C
Index of Refraction: 1.591
Molar Refractivity: 67.1±0.3 cm3
#H bond acceptors: 5
#H bond donors: 3
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 1.15
ACD/LogD (pH 5.5): 1.83
ACD/BCF (pH 5.5): 14.38
ACD/KOC (pH 5.5): 233.03
ACD/LogD (pH 7.4): 1.35
ACD/BCF (pH 7.4): 4.82
ACD/KOC (pH 7.4): 78.02
Polar Surface Area: 87 Å2
Polarizability: 26.6±0.5 10-24cm3
Surface Tension: 54.2±3.0 dyne/cm
Molar Volume: 198.8±3.0 cm3

Click to predict properties on the Chemicalize site


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