Cas no 686-33-9 (2-Butenoic acid, 2-cyano-, ethyl ester)

2-Butenoic acid, 2-cyano-, ethyl ester structure
686-33-9 structure
Product Name:2-Butenoic acid, 2-cyano-, ethyl ester
CAS No:686-33-9
MF:C7H9NO2
MW:139.151861906052
MDL:MFCD06210452
CID:392794
PubChem ID:5368875
Update Time:2025-04-19

2-Butenoic acid, 2-cyano-, ethyl ester Chemical and Physical Properties

Names and Identifiers

    • 2-Butenoic acid, 2-cyano-, ethyl ester
    • 2-Cyan-crotonsaeure-aethylester
    • 2-cyano-but-2-enoic acid ethyl ester
    • 2-cyano-crotonic acid ethyl ester
    • cyanoetylideneacetic ester
    • ethyl 2-cyanobut-2-enoate
    • Ethyliden-malonsaeure-ethylester-nitril
    • 686-33-9
    • (E)-2-Cyano-but-2-enoic acid ethyl ester
    • ethyl (E)-2-cyanobut-2-enoate
    • AS-77529
    • Ethyl 2-cyanocrotonate
    • AKOS006294042
    • (E)-Ethyl 2-cyanobut-2-enoate
    • ethyl a-cyanocrotonate
    • 65221-11-6
    • SCHEMBL4906704
    • Ethyl (2E)-2-cyano-2-butenoate #
    • Ethyl(2E)-2-cyano-2-butenoate
    • MDL： MFCD06210452
    • Inchi： 1S/C7H9NO2/c1-3-6(5-8)7(9)10-4-2/h3H,4H2,1-2H3/b6-3+
    • InChI Key： WIUDWAAJQVNSOH-ZZXKWVIFSA-N
    • SMILES： O(C(/C(/C#N)=C/C)=O)CC

Computed Properties

  • Exact Mass: 139.06300
  • Monoisotopic Mass: 139.063328530g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 10
  • Rotatable Bond Count: 3
  • Complexity: 197
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 1
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 1.2
  • Topological Polar Surface Area: 50.1?2

Experimental Properties

  • PSA: 50.09000
  • LogP: 1.01938

2-Butenoic acid, 2-cyano-, ethyl ester Pricemore >>

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