Cas no 74090-14-5 (Propanedioic acid, 3-butenyl-, dimethyl ester)

Propanedioic acid, 3-butenyl-, dimethyl ester structure
74090-14-5 structure
Product Name:Propanedioic acid, 3-butenyl-, dimethyl ester
CAS No:74090-14-5
MF:C9H14O4
MW:186.205063343048
CID:541589
PubChem ID:10899360
Update Time:2025-04-19

Propanedioic acid, 3-butenyl-, dimethyl ester Chemical and Physical Properties

Names and Identifiers

    • Propanedioic acid, 3-butenyl-, dimethyl ester
    • 2-but-3-enyl-propanedioic acid dimethyl ester
    • dimethyl 2-(3-butenyl)malonate
    • Dimethyl 2-(but-3-en-1-yl)malonate
    • 74090-14-5
    • Inchi: 1S/C9H14O4/c1-4-5-6-7(8(10)12-2)9(11)13-3/h4,7H,1,5-6H2,2-3H3
    • InChI Key: YOZVGFNUZHYTTQ-UHFFFAOYSA-N
    • SMILES: COC(C(C(OC)=O)CCC=C)=O

Computed Properties

  • Exact Mass: 186.08920892g/mol
  • Monoisotopic Mass: 186.08920892g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 13
  • Rotatable Bond Count: 7
  • Complexity: 182
  • 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: 1.6
  • Topological Polar Surface Area: 52.6?2
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