Cas no 1001-75-8 (4-Methylpent-4-enoic acid)

4-Methylpent-4-enoic acid structure
4-Methylpent-4-enoic acid structure
Product Name:4-Methylpent-4-enoic acid
CAS No:1001-75-8
MF:C6H10O2
MW:114.142402172089
MDL:MFCD06208588
CID:1016018
PubChem ID:5282648
Update Time:2025-04-20

4-Methylpent-4-enoic acid Chemical and Physical Properties

Names and Identifiers

    • 4-Methylpent-4-enoic acid
    • 4-Pentenoic acid
    • 4-Methyl-4-pentenoic acid
    • 4-Pentenoic acid, 4-methyl-
    • AS-41332
    • DTXSID00415231
    • SCHEMBL75667
    • DB-340383
    • CHEBI:180384
    • 4-Methylpent-4-enoic acid, 97%
    • AKOS006291975
    • 4-methylpent-4-enoicacid
    • 1001-75-8
    • A850348
    • EN300-108546
    • LMFA01020098
    • MFCD06208588
    • MDL: MFCD06208588
    • Inchi: 1S/C6H10O2/c1-5(2)3-4-6(7)8/h1,3-4H2,2H3,(H,7,8)
    • InChI Key: HVHBTFZQLHOFHA-UHFFFAOYSA-N
    • SMILES: OC(CCC(=C)C)=O

Computed Properties

  • Exact Mass: 114.0681
  • Monoisotopic Mass: 114.068079557g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 8
  • Rotatable Bond Count: 3
  • Complexity: 105
  • 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: 1.5
  • Topological Polar Surface Area: 37.3?2

Experimental Properties

  • Density: 0.974
  • Boiling Point: 199 oC
  • Flash Point: 96 oC
  • PSA: 37.3
  • LogP: 1.42730

4-Methylpent-4-enoic acid Pricemore >>

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