Cas no 1339734-31-4 (4-Cyclopropylbut-2-ynoic acid)

4-Cyclopropylbut-2-ynoic acid structure
4-Cyclopropylbut-2-ynoic acid structure
Product Name:4-Cyclopropylbut-2-ynoic acid
CAS No:1339734-31-4
MF:C7H8O2
MW:124.137222290039
MDL:MFCD20347359
CID:5617170
PubChem ID:64535368
Update Time:2023-09-07

4-Cyclopropylbut-2-ynoic acid Chemical and Physical Properties

Names and Identifiers

    • 4-cyclopropylbut-2-ynoic acid
    • 1339734-31-4
    • CS-0245010
    • SCHEMBL11660616
    • EN300-2980699
    • AKOS013860321
    • 2-Butynoic acid, 4-cyclopropyl-
    • 4-Cyclopropylbut-2-ynoic acid
    • MDL: MFCD20347359
    • Inchi: 1S/C7H8O2/c8-7(9)3-1-2-6-4-5-6/h6H,2,4-5H2,(H,8,9)
    • InChI Key: FVKOLNVCRALDMU-UHFFFAOYSA-N
    • SMILES: OC(C#CCC1CC1)=O

Computed Properties

  • Exact Mass: 124.052429494g/mol
  • Monoisotopic Mass: 124.052429494g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 9
  • Rotatable Bond Count: 1
  • Complexity: 178
  • 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: 37.3?2

Experimental Properties

  • Density: 1.219±0.06 g/cm3(Predicted)
  • Boiling Point: 268.5±9.0 °C(Predicted)
  • pka: 2.72±0.10(Predicted)

4-Cyclopropylbut-2-ynoic acid Pricemore >>

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