Cas no 88194-14-3 (1,3-Benzenedicarboxylic acid, 5-[(1-oxopropyl)amino]-)

1,3-Benzenedicarboxylic acid, 5-[(1-oxopropyl)amino]- structure
88194-14-3 structure
Product Name:1,3-Benzenedicarboxylic acid, 5-[(1-oxopropyl)amino]-
CAS No:88194-14-3
MF:C11H11NO5
MW:237.208743333817
CID:641519
PubChem ID:24284469
Update Time:2025-04-19

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

Names and Identifiers

    • 1,3-Benzenedicarboxylic acid, 5-[(1-oxopropyl)amino]-
    • 5-(propanoylamino)benzene-1,3-dicarboxylic acid
    • 88194-14-3
    • 5-Propanamidobenzene-1,3-dicarboxylic acid
    • AKOS008985210
    • DTXSID30640675
    • Inchi: 1S/C11H11NO5/c1-2-9(13)12-8-4-6(10(14)15)3-7(5-8)11(16)17/h3-5H,2H2,1H3,(H,12,13)(H,14,15)(H,16,17)
    • InChI Key: IPUXWGIQEZKLJO-UHFFFAOYSA-N
    • SMILES: O=C(CC)NC1C=C(C(=O)O)C=C(C(=O)O)C=1

Computed Properties

  • Exact Mass: 237.06372245g/mol
  • Monoisotopic Mass: 237.06372245g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 3
  • Hydrogen Bond Acceptor Count: 5
  • Heavy Atom Count: 17
  • 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: 0.6
  • Topological Polar Surface Area: 104?2
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