Cas no 19355-28-3 ( )

  structure
  structure
Product Name: 
CAS No:19355-28-3
MF:C14H15NO2
MW:229.274403810501
CID:908057
PubChem ID:6509722
Update Time:2025-04-19

  Chemical and Physical Properties

Names and Identifiers

    • ethyl (E)-2-cyano-3-(3-methylphenyl)but-2-enoate
    • 2-Cyan-3-(3-methylphenyl)-2-butensaeure-ethylester
    • AC1O6W3F
    • NSC169062
    • 19355-28-3
    • NSC-169062
    • DTXSID00424782
    •  
    • Inchi: 1S/C14H15NO2/c1-4-17-14(16)13(9-15)11(3)12-7-5-6-10(2)8-12/h5-8H,4H2,1-3H3/b13-11+
    • InChI Key: ALPTZAPCAFYXKJ-ACCUITESSA-N
    • SMILES: O(CC)C(/C(/C#N)=C(\C)/C1C=CC=C(C)C=1)=O

Computed Properties

  • Exact Mass: 229.11035
  • Monoisotopic Mass: 229.110278721g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 17
  • Rotatable Bond Count: 4
  • Complexity: 362
  • 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: 3.5
  • Topological Polar Surface Area: 50.1?2

Experimental Properties

  • PSA: 50.09
  • LogP: 2.85518
Recommended suppliers
Hebei Liye chemical Co.,Ltd
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Bulk
Hebei Liye chemical Co.,Ltd
Shanghai Pearlk Chemicals Co., Ltd.
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Bulk
Hangzhou TSurgeX Pharmaceutical Technology Co., Ltd.
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Reagent
Hangzhou TSurgeX Pharmaceutical Technology Co., Ltd.
Nanjing jingzhu bio-technology Co., Ltd.
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Bulk
Nanjing jingzhu bio-technology Co., Ltd.
Changzhou Guanjia Chemical Co., Ltd
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Bulk
Changzhou Guanjia Chemical Co., Ltd