Cas no 26004-68-2 (2H-Pyran-2-one,4-hydroxy-6-methyl-3-(1-oxo-2-buten-1-yl)-)

2H-Pyran-2-one,4-hydroxy-6-methyl-3-(1-oxo-2-buten-1-yl)- structure
26004-68-2 structure
Product Name:2H-Pyran-2-one,4-hydroxy-6-methyl-3-(1-oxo-2-buten-1-yl)-
CAS No:26004-68-2
MF:C10H10O4
MW:194.184003353119
CID:258095
PubChem ID:135570617
Update Time:2025-04-19

2H-Pyran-2-one,4-hydroxy-6-methyl-3-(1-oxo-2-buten-1-yl)- Chemical and Physical Properties

Names and Identifiers

    • 2H-Pyran-2-one,4-hydroxy-6-methyl-3-(1-oxo-2-buten-1-yl)-
    • (3E)-3-[(E)-1-hydroxybut-2-enylidene]-6-methylpyran-2,4-dione
    • 2H-Pyran-2-one, 4-hydroxy-6-methyl-3-(1-oxo-2-butenyl)-
    • 26004-68-2
    • 3-Crotonil-4-idrossi-6-metil-2H-piran-2-one [Italian]
    • 3-Crotonyl-4-hydroxy-6-methyl-2H-pyran-2-one
    • BRN 1283535
    • 5-18-03-00077 (Beilstein Handbook Reference)
    • 3-Crotonil-4-idrossi-6-metil-2H-piran-2-one
    • Inchi： 1S/C10H10O4/c1-3-4-7(11)9-8(12)5-6(2)14-10(9)13/h3-5,12H,1-2H3/b4-3+
    • InChI Key： USZFKSACQAZYHV-ONEGZZNKSA-N
    • SMILES： O1C(C(C(/C=C/C)=O)=C(C=C1C)O)=O

Computed Properties

  • Exact Mass: 194.0579
  • Monoisotopic Mass: 194.058
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 14
  • Rotatable Bond Count: 1
  • Complexity: 372
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 2
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 63.6A^2
  • XLogP3: 1.8

Experimental Properties

  • Density: 1.299
  • Boiling Point: 337.2°C at 760 mmHg
  • Flash Point: 134.2°C
  • Refractive Index: 1.567
  • PSA: 63.6

2H-Pyran-2-one,4-hydroxy-6-methyl-3-(1-oxo-2-buten-1-yl)- Related Literature

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