Cas no 61372-94-9 (Propanedioic acid, [(4-ethenylphenyl)methylene]-)

Propanedioic acid, [(4-ethenylphenyl)methylene]- structure
61372-94-9 structure
Product Name:Propanedioic acid, [(4-ethenylphenyl)methylene]-
CAS No:61372-94-9
MF:C12H10O4
MW:218.205403804779
CID:481762
PubChem ID:71396382
Update Time:2025-04-19

Propanedioic acid, [(4-ethenylphenyl)methylene]- Chemical and Physical Properties

Names and Identifiers

    • Propanedioic acid, [(4-ethenylphenyl)methylene]-
    • 2-[(4-ethenylphenyl)methylidene]propanedioic acid
    • DTXSID80817951
    • 61372-94-9
    • [(4-Ethenylphenyl)methylidene]propanedioic acid
    • Inchi: 1S/C12H10O4/c1-2-8-3-5-9(6-4-8)7-10(11(13)14)12(15)16/h2-7H,1H2,(H,13,14)(H,15,16)
    • InChI Key: XSOUIEOIAJWSRU-UHFFFAOYSA-N
    • SMILES: OC(/C(/C(=O)O)=C/C1C=CC(C=C)=CC=1)=O

Computed Properties

  • Exact Mass: 218.0579
  • Monoisotopic Mass: 218.05790880g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 16
  • Rotatable Bond Count: 4
  • Complexity: 306
  • 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: 3.5
  • Topological Polar Surface Area: 74.6?2

Experimental Properties

  • PSA: 74.6
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