Cas no 88194-04-1 (1,3-Benzenedicarboxylic acid, 5-(2-butenylamino)-)

1,3-Benzenedicarboxylic acid, 5-(2-butenylamino)- structure
88194-04-1 structure
Product Name:1,3-Benzenedicarboxylic acid, 5-(2-butenylamino)-
CAS No:88194-04-1
MF:C12H13NO4
MW:235.235923528671
CID:641529
PubChem ID:71410111
Update Time:2025-04-19

1,3-Benzenedicarboxylic acid, 5-(2-butenylamino)- Chemical and Physical Properties

Names and Identifiers

    • 1,3-Benzenedicarboxylic acid, 5-(2-butenylamino)-
    • 5-(but-2-enylamino)benzene-1,3-dicarboxylic acid
    • 88194-04-1
    • 5-[(But-2-en-1-yl)amino]benzene-1,3-dicarboxylic acid
    • DTXSID70829806
    • Inchi: 1S/C12H13NO4/c1-2-3-4-13-10-6-8(11(14)15)5-9(7-10)12(16)17/h2-3,5-7,13H,4H2,1H3,(H,14,15)(H,16,17)
    • InChI Key: DWYUISKXRGAPCS-UHFFFAOYSA-N
    • SMILES: OC(C1C=C(C(=O)O)C=C(C=1)NCC=CC)=O

Computed Properties

  • Exact Mass: 235.08445790g/mol
  • Monoisotopic Mass: 235.08445790g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 3
  • Hydrogen Bond Acceptor Count: 5
  • Heavy Atom Count: 17
  • Rotatable Bond Count: 5
  • Complexity: 292
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 1
  • XLogP3: 1.8
  • Topological Polar Surface Area: 86.6?2
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