Cas no 499120-67-1 (Pentanedioic acid, 2-cyano-2-(3-methylbutyl)-, 1-ethyl 5-methyl ester)

Pentanedioic acid, 2-cyano-2-(3-methylbutyl)-, 1-ethyl 5-methyl ester structure
499120-67-1 structure
Product Name:Pentanedioic acid, 2-cyano-2-(3-methylbutyl)-, 1-ethyl 5-methyl ester
CAS No:499120-67-1
MF:C14H23NO4
MW:269.33672451973
CID:1538381
Update Time:2024-08-24

Pentanedioic acid, 2-cyano-2-(3-methylbutyl)-, 1-ethyl 5-methyl ester Chemical and Physical Properties

Names and Identifiers

    • Pentanedioic acid, 2-cyano-2-(3-methylbutyl)-, 1-ethyl 5-methyl ester
    • Inchi: 1S/C14H23NO4/c1-5-19-13(17)14(10-15,8-6-11(2)3)9-7-12(16)18-4/h11H,5-9H2,1-4H3
    • InChI Key: HIUZQOSBJWVPDZ-UHFFFAOYSA-N
    • SMILES: C(OCC)(=O)C(C#N)(CCC(C)C)CCC(OC)=O

Computed Properties

  • Exact Mass: 269.16279

Experimental Properties

  • Density: 1.034±0.06 g/cm3(Predicted)
  • Boiling Point: 365.9±27.0 °C(Predicted)
  • PSA: 76.39
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