Cas no 88194-03-0 (1,3-Benzenedicarboxylic acid, 5-[(2-methyl-2-propenyl)amino]-)

1,3-Benzenedicarboxylic acid, 5-[(2-methyl-2-propenyl)amino]- structure
88194-03-0 structure
Product Name:1,3-Benzenedicarboxylic acid, 5-[(2-methyl-2-propenyl)amino]-
CAS No:88194-03-0
MF:C12H13NO4
MW:235.235923528671
CID:641530
PubChem ID:71410112
Update Time:2025-04-19

1,3-Benzenedicarboxylic acid, 5-[(2-methyl-2-propenyl)amino]- Chemical and Physical Properties

Names and Identifiers

    • 1,3-Benzenedicarboxylic acid, 5-[(2-methyl-2-propenyl)amino]-
    • 5-(2-methylprop-2-enylamino)benzene-1,3-dicarboxylic acid
    • 5-[(2-Methylprop-2-en-1-yl)amino]benzene-1,3-dicarboxylic acid
    • 88194-03-0
    • DTXSID30829807
    • Inchi: 1S/C12H13NO4/c1-7(2)6-13-10-4-8(11(14)15)3-9(5-10)12(16)17/h3-5,13H,1,6H2,2H3,(H,14,15)(H,16,17)
    • InChI Key: UGHZKVGZDIVLKX-UHFFFAOYSA-N
    • SMILES: OC(C1C=C(C(=O)O)C=C(C=1)NCC(=C)C)=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: 305
  • 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: 2.2
  • Topological Polar Surface Area: 86.6?2
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