Cas no 98558-09-9 (2-(1-Methylcyclopropyl)but-3-yn-2-ol)

2-(1-Methylcyclopropyl)but-3-yn-2-ol structure
98558-09-9 structure
Product Name:2-(1-Methylcyclopropyl)but-3-yn-2-ol
CAS No:98558-09-9
MF:C8H12O
MW:124.180282592773
CID:860660
Update Time:2023-08-03

2-(1-Methylcyclopropyl)but-3-yn-2-ol Chemical and Physical Properties

Names and Identifiers

    • 3-butyn-2-ol, 2-(1-methylcyclopropyl)-,
    • 2-(1-methylcyclopropyl)but-3-yn-2-ol
    • MWOFUOAWMMDAHZ-UHFFFAOYSA-N
    • (+/-)-2-(1-Methylcyclopropyl)but-3-yn-2-ol
    • 2-(1-Methylcyclopropyl)but-3-yn-2-ol
    • Inchi: 1S/C8H12O/c1-4-8(3,9)7(2)5-6-7/h1,9H,5-6H2,2-3H3
    • InChI Key: MWOFUOAWMMDAHZ-UHFFFAOYSA-N
    • SMILES: OC(C#C)(C)C1(C)CC1

Computed Properties

  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 9
  • Rotatable Bond Count: 2
  • Complexity: 170
  • Topological Polar Surface Area: 20.2
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