Cas no 54340-85-1 (BENZENE,1-(2-BUTENYL)-2,3-DIM)

BENZENE,1-(2-BUTENYL)-2,3-DIM structure
BENZENE,1-(2-BUTENYL)-2,3-DIM structure
Product Name:BENZENE,1-(2-BUTENYL)-2,3-DIM
CAS No:54340-85-1
MF:C12H16
MW:160.255443572998
CID:940759
PubChem ID:589443
Update Time:2025-04-19

BENZENE,1-(2-BUTENYL)-2,3-DIM Chemical and Physical Properties

Names and Identifiers

    • BENZENE,1-(2-BUTENYL)-2,3-DIM
    • 1-but-2-enyl-2,3-dimethylbenzene
    • DTXSID70343390
    • 54340-85-1
    • AGN-PC-0JTE1F
    • 1-(2-butenyl)-2,3-dimethyl-benzene
    • Inchi: 1S/C12H16/c1-4-5-8-12-9-6-7-10(2)11(12)3/h4-7,9H,8H2,1-3H3
    • InChI Key: TXTXBKFZTQSMAH-UHFFFAOYSA-N
    • SMILES: C1(C=CC=C(C)C=1C)CC=CC

Computed Properties

  • Exact Mass: 160.125200510g/mol
  • Monoisotopic Mass: 160.125200510g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 0
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 2
  • Complexity: 146
  • 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
  • XLogP3: 4
  • Topological Polar Surface Area: 0?2
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