Cas no 96653-03-1 (Benzene,1-(2-buten-1-yl)-2-(1-methylethyl)-)

Benzene,1-(2-buten-1-yl)-2-(1-methylethyl)- structure
96653-03-1 structure
Product Name:Benzene,1-(2-buten-1-yl)-2-(1-methylethyl)-
CAS No:96653-03-1
MF:C13H18
MW:174.282023906708
CID:800493
Update Time:2022-09-23

Benzene,1-(2-buten-1-yl)-2-(1-methylethyl)- Chemical and Physical Properties

Names and Identifiers

    • Benzene,1-(2-buten-1-yl)-2-(1-methylethyl)-
    • 2-Butene,1-o-cumenyl-(7CI)
    • 1-(2-Isopropyl-phenyl)-buten-(2)
    • Inchi: 1S/C13H18/c1-4-5-8-12-9-6-7-10-13(12)11(2)3/h4-7,9-11H,8H2,1-3H3/b5-4+
    • InChI Key: GSPVDJNDWJJPAC-SNAWJCMRSA-N
    • SMILES: C1(C/C=C/C)=CC=CC=C1C(C)C

Computed Properties

  • Exact Mass: 174.141
  • Monoisotopic Mass: 174.141
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 0
  • Heavy Atom Count: 13
  • Rotatable Bond Count: 3
  • Complexity: 155
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 1
  • Topological Polar Surface Area: 0A^2
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