Cas no 88153-39-3 (Butanoic acid, 2-(phenylmethylene)-, (Z)-)

Butanoic acid, 2-(phenylmethylene)-, (Z)- structure
88153-39-3 structure
Product Name:Butanoic acid, 2-(phenylmethylene)-, (Z)-
CAS No:88153-39-3
MF:C11H12O2
MW:176.211783409119
CID:642956
PubChem ID:235117
Update Time:2025-04-19

Butanoic acid, 2-(phenylmethylene)-, (Z)- Chemical and Physical Properties

Names and Identifiers

    • Butanoic acid, 2-(phenylmethylene)-, (Z)-
    • 2-benzylidenebutanoic acid
    • benzal butyric acid
    • 2-(phenylmethylidene)butanoic acid
    • DTXSID90284190
    • 88153-39-3
    • 620-78-0
    • AKOS030239971
    • alpha-ethyl cinnamic acid
    • RUETZBUVTWCCIZ-UHFFFAOYSA-N
    • SCHEMBL57683
    • Inchi: 1S/C11H12O2/c1-2-10(11(12)13)8-9-6-4-3-5-7-9/h3-8H,2H2,1H3,(H,12,13)
    • InChI Key: RUETZBUVTWCCIZ-UHFFFAOYSA-N
    • SMILES: OC(C(=CC1C=CC=CC=1)CC)=O

Computed Properties

  • Exact Mass: 176.083729621g/mol
  • Monoisotopic Mass: 176.083729621g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 13
  • Rotatable Bond Count: 3
  • Complexity: 200
  • 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: 2.7
  • Topological Polar Surface Area: 37.3?2

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