Cas no 21405-59-4 (Propanedioic acid, [(4-methylphenyl)methylene]-)

Propanedioic acid, [(4-methylphenyl)methylene]- structure
21405-59-4 structure
Product Name:Propanedioic acid, [(4-methylphenyl)methylene]-
CAS No:21405-59-4
MF:C11H10O4
MW:206.194703578949
CID:1404826
Update Time:2024-08-16

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

Names and Identifiers

    • Propanedioic acid, [(4-methylphenyl)methylene]-
    • 3-(4-methylphenyl)-2-carboxy-2-propenoic acid
    • (4-Methyl-benzyliden)-malonsaeure
    • (4-methyl-benzylidene)-malonic acid
    • 2-(4-Methylbenzylidene)malonic acid
    • Propanedioic acid, 2-[(4-methylphenyl)methylene]-
    • Inchi: 1S/C11H10O4/c1-7-2-4-8(5-3-7)6-9(10(12)13)11(14)15/h2-6H,1H3,(H,12,13)(H,14,15)
    • InChI Key: DTESVSJGQRBZEK-UHFFFAOYSA-N
    • SMILES: C(O)(=O)/C(=C\C1=CC=C(C)C=C1)/C(O)=O

Computed Properties

  • Exact Mass: 206.05800

Experimental Properties

  • Density: 1.354±0.06 g/cm3(Predicted)
  • Melting Point: 219-220 °C
  • Boiling Point: 395.6±30.0 °C(Predicted)
  • PSA: 74.60000
  • LogP: 1.54760
  • pka: 2.01±0.10(Predicted)
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