Cas no 10508-39-1 (1,2,4-Benzenetricarboxamide)

1,2,4-Benzenetricarboxamide structure
1,2,4-Benzenetricarboxamide structure
Product Name:1,2,4-Benzenetricarboxamide
CAS No:10508-39-1
MF:C9H9N3O3
MW:207.186061620712
CID:1150279
PubChem ID:12732456
Update Time:2025-04-20

1,2,4-Benzenetricarboxamide Chemical and Physical Properties

Names and Identifiers

    • 1,2,4-Benzenetricarboxamide
    • benzene-1,2,4-tricarboxamide
    • DTXSID90508388
    • SCHEMBL11555300
    • 10508-39-1
    • Inchi: 1S/C9H9N3O3/c10-7(13)4-1-2-5(8(11)14)6(3-4)9(12)15/h1-3H,(H2,10,13)(H2,11,14)(H2,12,15)
    • InChI Key: SXHLEIFYCANFJQ-UHFFFAOYSA-N
    • SMILES: O=C(C1C=C(C(N)=O)C=CC=1C(N)=O)N

Computed Properties

  • Exact Mass: 207.06447
  • Monoisotopic Mass: 207.06439116g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 3
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 15
  • Rotatable Bond Count: 3
  • Complexity: 303
  • 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: -2.9
  • Topological Polar Surface Area: 129?2

Experimental Properties

  • PSA: 129.27
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