ChemSpider 2D Image | 2L109I97B6 | C11H12O4

2L109I97B6

  • Molecular FormulaC11H12O4
  • Average mass208.211 Da
  • Monoisotopic mass208.073563 Da
  • ChemSpider ID22547122

  • Double-bond stereo - Double-bond stereo

More details:

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

(3E)-1-(2,3,6-Trihydroxyphenyl)-3-penten-1-on [German] [ACD/IUPAC Name]
(3E)-1-(2,3,6-Trihydroxyphenyl)-3-penten-1-one [ACD/IUPAC Name]
(3E)-1-(2,3,6-Trihydroxyphényl)-3-pentén-1-one [French] [ACD/IUPAC Name]
2L109I97B6
3-Penten-1-one, 1-(2,3,6-trihydroxyphenyl)-, (3E)- [ACD/Index Name]
6826-42-2 [RN]
Maltoryzine
(3E)-1-(2,3,6-TRIHYDROXYPHENYL)PENT-3-EN-1-ONE
(E)-1-(2,3,6-trihydroxyphenyl)pent-3-en-1-one
1-(2,3,6-TRIHYDROXYPHENYL)PENT-3-EN-1-ONE
More...

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

Density: 1.3±0.1 g/cm3
Boiling Point: 400.7±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 67.7±3.0 kJ/mol
Flash Point: 210.3±25.2 °C
Index of Refraction: 1.619
Molar Refractivity: 55.9±0.3 cm3
#H bond acceptors: 4
#H bond donors: 3
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 3.36
ACD/LogD (pH 5.5): 2.47
ACD/BCF (pH 5.5): 44.53
ACD/KOC (pH 5.5): 525.10
ACD/LogD (pH 7.4): 2.19
ACD/BCF (pH 7.4): 22.94
ACD/KOC (pH 7.4): 270.56
Polar Surface Area: 78 Å2
Polarizability: 22.2±0.5 10-24cm3
Surface Tension: 60.2±3.0 dyne/cm
Molar Volume: 159.4±3.0 cm3

Click to predict properties on the Chemicalize site


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