Cas no 2463-16-3 (Ethyl 3-cyanobenzoate)

Ethyl 3-cyanobenzoate structure
Ethyl 3-cyanobenzoate structure
Product Name:Ethyl 3-cyanobenzoate
CAS No:2463-16-3
MF:C10H9NO2
MW:175.183962583542
MDL:MFCD03086010
CID:1422114
PubChem ID:13026687
Update Time:2025-04-20

Ethyl 3-cyanobenzoate Chemical and Physical Properties

Names and Identifiers

    • Benzoic acid, 3-cyano-, ethyl ester
    • 3-cyano-benzoic acid ethyl ester
    • Ethyl 3-cyanobenzoate
    • ethyl m-cyanobenzoate
    • 3-Cyanobenzoic acid ethyl ester
    • ZKXMKMLGUYSGNS-UHFFFAOYSA-N
    • AK197517
    • CS-0151746
    • AS-57495
    • AKOS008949355
    • SCHEMBL1505251
    • C74269
    • DB-171220
    • Q63396523
    • 2463-16-3
    • ETHYL3-CYANOBENZOATE
    • DTXSID901347470
    • MFCD03086010
    • SY327046
    • MDL: MFCD03086010
    • Inchi: 1S/C10H9NO2/c1-2-13-10(12)9-5-3-4-8(6-9)7-11/h3-6H,2H2,1H3
    • InChI Key: ZKXMKMLGUYSGNS-UHFFFAOYSA-N
    • SMILES: O(C(C1C=CC=C(C#N)C=1)=O)CC

Computed Properties

  • Exact Mass: 175.06337
  • Monoisotopic Mass: 175.063328530g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 13
  • Rotatable Bond Count: 3
  • Complexity: 228
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 2.2
  • Topological Polar Surface Area: 50.1

Experimental Properties

  • PSA: 50.09

Ethyl 3-cyanobenzoate Pricemore >>

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