Cas no 44981-48-8 (2-Butenedioic acid,1-(2-propen-1-yl) ester)

2-Butenedioic acid,1-(2-propen-1-yl) ester structure
44981-48-8 structure
Product Name:2-Butenedioic acid,1-(2-propen-1-yl) ester
CAS No:44981-48-8
MF:C7H8O4
MW:156.136022567749
CID:333346
PubChem ID:6436904
Update Time:2025-04-19

2-Butenedioic acid,1-(2-propen-1-yl) ester Chemical and Physical Properties

Names and Identifiers

    • 2-Butenedioic acid,1-(2-propen-1-yl) ester
    • allyl hydrogen 2-butenedioate
    • DTXSID7062403
    • (E)-4-oxo-4-prop-2-enoxybut-2-enoic acid
    • DTXSID701287981
    • EINECS 259-652-1
    • Allyl hydrogen fumarate
    • NS00089360
    • SCHEMBL39644
    • (E)-4-(Allyloxy)-4-oxobut-2-enoic acid
    • 2-Butenedioic acid (2Z)-, mono-2-propenyl ester
    • 55464-76-1
    • 44981-48-8
    • 2-Butenedioic acid (2Z)-, 1-(2-propen-1-yl) ester
    • AKOS006275006
    • starbld0048839
    • EINECS 256-174-5
    • 1-(2-Propen-1-yl) (2E)-2-butenedioate
    • SCHEMBL39643
    • EINECS 219-358-6
    • Inchi： 1S/C7H8O4/c1-2-5-11-7(10)4-3-6(8)9/h2-4H,1,5H2,(H,8,9)/b4-3+
    • InChI Key： PEKZMKOVRVVTTN-ONEGZZNKSA-N
    • SMILES： O(C(/C=C/C(=O)O)=O)CC=C

Computed Properties

  • Exact Mass: 156.042259
  • Monoisotopic Mass: 156.042259
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 11
  • Rotatable Bond Count: 5
  • Complexity: 193
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 1
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 63.6
  • XLogP3: 0.5

Experimental Properties

  • Density: 1.192
  • Boiling Point: 282.8°C at 760 mmHg
  • Flash Point: 116.8°C
  • Refractive Index: 1.486

2-Butenedioic acid,1-(2-propen-1-yl) ester Related Literature

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