Cas no 1105193-41-6 (5-(3,4,5-trimethoxyphenyl)-1,2-oxazole-3-carboxylic acid)

5-(3,4,5-trimethoxyphenyl)-1,2-oxazole-3-carboxylic acid structure
1105193-41-6 structure
Product Name:5-(3,4,5-trimethoxyphenyl)-1,2-oxazole-3-carboxylic acid
CAS No:1105193-41-6
MF:C13H13NO6
MW:279.245424032211
MDL:MFCD07377281
CID:2606396
PubChem ID:33676007
Update Time:2025-04-21

5-(3,4,5-trimethoxyphenyl)-1,2-oxazole-3-carboxylic acid Chemical and Physical Properties

Names and Identifiers

    • 5-(3,4,5-trimethoxyphenyl)-1,2-oxazole-3-carboxylic acid
    • 5-(3,4,5-trimethoxyphenyl)isoxazole-3-carboxylic acid
    • MFCD07377281
    • AKOS005207885
    • DTXSID10652791
    • F1967-0229
    • EN300-238103
    • 1105193-41-6
    • MDL： MFCD07377281
    • Inchi： 1S/C13H13NO6/c1-17-10-4-7(5-11(18-2)12(10)19-3)9-6-8(13(15)16)14-20-9/h4-6H,1-3H3,(H,15,16)
    • InChI Key： UYIOCOCCSKXONZ-UHFFFAOYSA-N
    • SMILES： O1C(=CC(C(=O)O)=N1)C1C=C(C(=C(C=1)OC)OC)OC

Computed Properties

  • Exact Mass: 279.07428713Da
  • Monoisotopic Mass: 279.07428713Da
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 5
  • Heavy Atom Count: 20
  • Rotatable Bond Count: 5
  • Complexity: 325
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 1.8
  • Topological Polar Surface Area: 91?2

Experimental Properties

  • Density: 1.3±0.1 g/cm3
  • Boiling Point: 471.3±45.0 °C at 760 mmHg
  • Flash Point: 238.9±28.7 °C
  • Vapor Pressure: 0.0±1.2 mmHg at 25°C

5-(3,4,5-trimethoxyphenyl)-1,2-oxazole-3-carboxylic acid Security Information

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Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
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abcr
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Enamine
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