ChemSpider 2D Image | 4μ8c | C11H8O4

4μ8c

  • Molecular FormulaC11H8O4
  • Average mass204.179 Da
  • Monoisotopic mass204.042252 Da
  • ChemSpider ID21800593

More details:






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

14003-96-4 [RN]
2H-1-Benzopyran-8-carboxaldehyde, 7-hydroxy-4-methyl-2-oxo- [ACD/Index Name]
4μ8C
4μ8c
7-Hydroxy-4-methyl-2-oxo-2H-chromen-8-carbaldehyd [German] [ACD/IUPAC Name]
7-Hydroxy-4-methyl-2-oxo-2H-chromene-8-carbaldehyde [ACD/IUPAC Name]
7-Hydroxy-4-méthyl-2-oxo-2H-chromène-8-carbaldéhyde [French] [ACD/IUPAC Name]
4µ8C
4¦Ì8C
4��8C
More...

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

CCRIS 4693 [DBID]
MFCD12027255 [DBID]
PubChem Substance ID 329825761 [DBID]
  • Experimental Physico-chemical Properties
  • Miscellaneous
    • Safety:

      5 Axon Medchem 1902
      H303;H313;H317;H333;H334;H335;H373 Axon Medchem 1902
      IRRITANT Matrix Scientific 037985
      no pictogram Axon Medchem 1902
      P101;P102;P103;P260;P262;P263;P264;P270;P280;P304;P312;P340 Axon Medchem 1902
      Warning Axon Medchem 1902
    • Bio Activity:

      Enzymes Tocris Bioscience 4479
      Esterases Tocris Bioscience 4479
      Inhibits IRE1? endoribonuclease activity Tocris Bioscience 4479
      Inhibits IRE1alpha endoribonuclease activity Tocris Bioscience 4479
      IRE1 Tocris Bioscience 4479
      Selective inhibitor of IRE1? ribonuclease (RNase) activity (IC50 = 60 nM). Blocks substrate access to the active site of IRE1?. Inactivates IRE1?-mediated mRNA degradation. Displays no effect on the I RE1?-related endoribonuclease RNase L. Tocris Bioscience 4479
      Selective inhibitor of IRE1? ribonuclease (RNase) activity (IC50 = 60 nM). Blocks substrate access to the active site of IRE1?. Inactivates IRE1?-mediated mRNA degradation. Displays no effect on the IRE1?-related endoribonuclease RNase L. Tocris Bioscience 4479
      Selective inhibitor of IRE1alpha ribonuclease (RNase) activity (IC50 = 60 nM). Blocks substrate access to the active site of IRE1alpha. Inactivates IRE1alpha-mediated mRNA degradation. Displays no effect on the IRE1alpha-related endoribonuclease RNase L. Tocris Bioscience 4479

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

Density: 1.4±0.1 g/cm3
Boiling Point: 398.3±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 67.4±3.0 kJ/mol
Flash Point: 162.6±21.4 °C
Index of Refraction: 1.652
Molar Refractivity: 53.1±0.3 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 2.30
ACD/LogD (pH 5.5): 2.27
ACD/BCF (pH 5.5): 29.98
ACD/KOC (pH 5.5): 377.80
ACD/LogD (pH 7.4): 1.14
ACD/BCF (pH 7.4): 2.24
ACD/KOC (pH 7.4): 28.24
Polar Surface Area: 64 Å2
Polarizability: 21.1±0.5 10-24cm3
Surface Tension: 60.2±3.0 dyne/cm
Molar Volume: 145.2±3.0 cm3

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