Cas no 318528-53-9 (Benzoic acid,3-cyano-4-ethoxy-, methyl ester)

Benzoic acid,3-cyano-4-ethoxy-, methyl ester structure
318528-53-9 structure
Product Name:Benzoic acid,3-cyano-4-ethoxy-, methyl ester
CAS No:318528-53-9
MF:C11H11NO3
MW:205.209943056107
CID:304997
PubChem ID:21956820
Update Time:2025-04-19

Benzoic acid,3-cyano-4-ethoxy-, methyl ester Chemical and Physical Properties

Names and Identifiers

    • Benzoic acid,3-cyano-4-ethoxy-, methyl ester
    • Benzoic acid, 3-cyano-4-ethoxy-, methyl ester (9CI)
    • methyl 3-cyano-4-ethoxybenzoate
    • Benzoic acid,3-cyano-4-ethoxy-,methyl ester
    • SCHEMBL5874030
    • 1262640-93-6
    • 318528-53-9
    • N16914
    • FT-0731490
    • Inchi： 1S/C11H11NO3/c1-3-15-10-5-4-8(11(13)14-2)6-9(10)7-12/h4-6H,3H2,1-2H3
    • InChI Key： QROOLSGRAPIRGK-UHFFFAOYSA-N
    • SMILES： O(CC)C1C=CC(C(=O)OC)=CC=1C#N

Computed Properties

  • Exact Mass: 205.07400
  • Monoisotopic Mass: 205.07389321g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 15
  • Rotatable Bond Count: 4
  • Complexity: 268
  • 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: 1.8
  • Topological Polar Surface Area: 59.3?2

Experimental Properties

  • PSA: 59.32000
  • LogP: 1.74358

Benzoic acid,3-cyano-4-ethoxy-, methyl ester Pricemore >>

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