ChemSpider 2D Image | IMS2186 | C18H16O4

IMS2186

  • Molecular FormulaC18H16O4
  • Average mass296.317 Da
  • Monoisotopic mass296.104858 Da
  • ChemSpider ID28556053
  • Double-bond stereo - Double-bond stereo


More details:






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

(3E)-3-(3-Hydroxy-4-methoxybenzyliden)-6-methyl-2,3-dihydro-4H-chromen-4-on [German] [ACD/IUPAC Name]
(3E)-3-(3-Hydroxy-4-methoxybenzylidene)-6-methyl-2,3-dihydro-4H-chromen-4-one [ACD/IUPAC Name]
(3E)-3-(3-Hydroxy-4-méthoxybenzylidène)-6-méthyl-2,3-dihydro-4H-chromén-4-one [French] [ACD/IUPAC Name]
1031206-36-6 [RN]
3-[1-(3-Hydroxy-4-methoxyphenyl)-meth-(E)-ylidene]-6-methyl-chroman-4-one
4H-1-Benzopyran-4-one, 2,3-dihydro-3-[(3-hydroxy-4-methoxyphenyl)methylene]-6-methyl-, (3E)- [ACD/Index Name]
IMS 2186
IMS2186
MFCD12912419 [MDL number]
(3E)-2,3-dihydro-3-[(3-hydroxy-4-methoxyphenyl)methylene]-6-methyl-4H-1-benzopyran-4-one
More...
  • Experimental Physico-chemical Properties
  • Miscellaneous
    • Safety:

      5 Axon Medchem 1827
      H303;H313;H317;H333;H334;H335;H373 Axon Medchem 1827
      no pictogram Axon Medchem 1827
      P101;P102;P103;P260;P262;P263;P264;P270;P280;P304;P312;P340 Axon Medchem 1827
      Warning Axon Medchem 1827

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

Density: 1.3±0.1 g/cm3
Boiling Point: 535.7±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 84.3±3.0 kJ/mol
Flash Point: 199.6±23.6 °C
Index of Refraction: 1.652
Molar Refractivity: 84.2±0.3 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 3.71
ACD/LogD (pH 5.5): 3.48
ACD/BCF (pH 5.5): 260.72
ACD/KOC (pH 5.5): 1866.77
ACD/LogD (pH 7.4): 3.48
ACD/BCF (pH 7.4): 258.14
ACD/KOC (pH 7.4): 1848.29
Polar Surface Area: 56 Å2
Polarizability: 33.4±0.5 10-24cm3
Surface Tension: 55.3±3.0 dyne/cm
Molar Volume: 230.3±3.0 cm3

Click to predict properties on the Chemicalize site






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