Cas no 15889-98-2 (2-Furanpropanoic acid,tetrahydro-5-oxo-, methyl ester)

2-Furanpropanoic acid,tetrahydro-5-oxo-, methyl ester structure
15889-98-2 structure
Product Name:2-Furanpropanoic acid,tetrahydro-5-oxo-, methyl ester
CAS No:15889-98-2
MF:C8H12O4
MW:172.178483009338
CID:228905
PubChem ID:299833
Update Time:2025-04-19

2-Furanpropanoic acid,tetrahydro-5-oxo-, methyl ester Chemical and Physical Properties

Names and Identifiers

    • 2-Furanpropanoic acid,tetrahydro-5-oxo-, methyl ester
    • methyl 3-(5-oxooxolan-2-yl)propanoate
    • (oxo-2 tetrahydrofurfuryl-5)-3 propionate de methyle
    • 3-(5-oxo-tetrahydro-furan-2-yl)-propionic acid methyl ester
    • 4-(2-Methoxycarbonylethyl)-4-butanolide
    • methyl 3-(5-oxotetrahydrofuran-2-yl)propanoate
    • NSC173183
    • FXLHHDTWEYWBBO-UHFFFAOYSA-N
    • NSC-173183
    • 15889-98-2
    • DTXSID30306007
    • Inchi： 1S/C8H12O4/c1-11-7(9)4-2-6-3-5-8(10)12-6/h6H,2-5H2,1H3
    • InChI Key： FXLHHDTWEYWBBO-UHFFFAOYSA-N
    • SMILES： O1C(CCC1CCC(=O)OC)=O

Computed Properties

  • Exact Mass: 172.07356
  • Monoisotopic Mass: 172.074
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 4
  • Complexity: 188
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 1
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 0.4
  • Topological Polar Surface Area: 52.6?2

Experimental Properties

  • Density: 1.145
  • Boiling Point: 289.4°Cat760mmHg
  • Flash Point: 146.3°C
  • Refractive Index: 1.451
  • PSA: 52.6

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