Cas no 103261-68-3 (Methyl 5-cyano-2-methylbenzoate)

Methyl 5-cyano-2-methylbenzoate structure
103261-68-3 structure
Product Name:Methyl 5-cyano-2-methylbenzoate
CAS No:103261-68-3
MF:C10H9NO2
MW:175.183962583542
MDL:MFCD18399111
CID:1136229
PubChem ID:9989736
Update Time:2025-04-20

Methyl 5-cyano-2-methylbenzoate Chemical and Physical Properties

Names and Identifiers

    • methyl 5-cyano-2-methylbenzoate
    • SureCN1321345
    • 2-Methyl-5-cyanobenzoic Acid Methyl Ester
    • Benzoic acid, 5-cyano-2-methyl-, methyl ester
    • ACMC-20m64v
    • 5-cyano-2-methylbenzoic acid methyl ester
    • 5-Cyan-2-methyl-benzoesaeure-methylester
    • CTK0G7147
    • methyl 3-cyano-6-methylbenzoate
    • 5-Cyano-2-methyl-benzoic acid methyl ester
    • Methyl 4-cyano-o-toluate
    • F13829
    • DTXSID40433712
    • methyl-5-cyano-2-methylbenzoate
    • SCHEMBL1321345
    • SB30287
    • MFCD18399111
    • CS-0187517
    • NLJITVMSLMNYSZ-UHFFFAOYSA-N
    • DB-209415
    • AS-60633
    • AKOS023100793
    • Methyl5-cyano-2-methylbenzoate
    • SY244242
    • 103261-68-3
    • Methyl 5-cyano-2-methylbenzoate
    • MDL： MFCD18399111
    • Inchi： 1S/C10H9NO2/c1-7-3-4-8(6-11)5-9(7)10(12)13-2/h3-5H,1-2H3
    • InChI Key： NLJITVMSLMNYSZ-UHFFFAOYSA-N
    • SMILES： O(C)C(C1C=C(C#N)C=CC=1C)=O

Computed Properties

  • Exact Mass: 175.063328530g/mol
  • 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: 2
  • Complexity: 241
  • 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: 2.5
  • Topological Polar Surface Area: 50.1?2

Experimental Properties

  • PSA: 50.09000
  • LogP: 1.65328

Methyl 5-cyano-2-methylbenzoate Pricemore >>

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