Cas no 1617-31-8 (3-methylbut-3-enoic acid)

3-methylbut-3-enoic acid structure
3-methylbut-3-enoic acid structure
Product Name:3-methylbut-3-enoic acid
CAS No:1617-31-8
MF:C5H8O2
MW:100.115821838379
MDL:MFCD09038392
CID:159200
PubChem ID:417575
Update Time:2025-04-19

3-methylbut-3-enoic acid Chemical and Physical Properties

Names and Identifiers

    • 3-Butenoic acid,3-methyl-
    • 3-Methyl-3-butenoic acid
    • 3-methylbut-3-enoic acid
    • Isopropenylacetic acid
    • 3-Butenoic acid, 3-methyl-
    • R0Z725B1UA
    • 3-Methylvinylacetic acid
    • 3-methyl-but-3-enoic acid
    • CH2=C(CH3)CH2COOH
    • Butanoic acid, 3-methylene-
    • IGRURXZWJCSNKU-UHFFFAOYSA-N
    • LMFA01020110
    • NE19315
    • Z1815155575
    • CHEBI:178220
    • CS-0222727
    • MFCD09038392
    • AKOS000192127
    • EN300-112366
    • Z295890066
    • DTXSID001313242
    • UNII-R0Z725B1UA
    • F87165
    • SCHEMBL75359
    • 3-methylbut-3-enoicacid
    • 1617-31-8
    • MDL： MFCD09038392
    • Inchi： 1S/C5H8O2/c1-4(2)3-5(6)7/h1,3H2,2H3,(H,6,7)
    • InChI Key： IGRURXZWJCSNKU-UHFFFAOYSA-N
    • SMILES： OC(CC(=C)C)=O

Computed Properties

  • Exact Mass: 100.05244
  • Monoisotopic Mass: 100.052
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 7
  • Rotatable Bond Count: 2
  • Complexity: 94.3
  • 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
  • Topological Polar Surface Area: 37.3
  • XLogP3: 1.2

Experimental Properties

  • Density: 0.9776 (rough estimate)
  • Melting Point: 21°C
  • Boiling Point: 194.4°C (estimate)
  • Refractive Index: 1.4191 (estimate)
  • PSA: 37.3
  • LogP: 1.03720

3-methylbut-3-enoic acid Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
TRC
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TRC
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eNovation Chemicals LLC
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 ￥16221 2023-04-15
SHANG HAI HAO HONG Biomedical Technology Co., Ltd.
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 ￥16632 2023-04-15
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