Cas no 62790-27-6 (1,3,5-benzene-2,4,6-d3-tricarboxylic acid)

1,3,5-benzene-2,4,6-d3-tricarboxylic acid structure
62790-27-6 structure
Product Name:1,3,5-benzene-2,4,6-d3-tricarboxylic acid
CAS No:62790-27-6
MF:C9H6O6
MW:213.158828258514
CID:957898
PubChem ID:102602248
Update Time:2025-04-19

1,3,5-benzene-2,4,6-d3-tricarboxylic acid Chemical and Physical Properties

Names and Identifiers

    • 1,3,5-benzene-2,4,6-d3-tricarboxylic acid
    • HY-78985S
    • DB-311418
    • 62790-27-6
    • D98544
    • SCHEMBL16714047
    • Benzene-1,3,5-tricarboxylic acid-d3
    • CS-0621014
    • 2,4,6-trideuteriobenzene-1,3,5-tricarboxylic acid
    • (?H?)benzene-1,3,5-tricarboxylic acid
    • Inchi: 1S/C9H6O6/c10-7(11)4-1-5(8(12)13)3-6(2-4)9(14)15/h1-3H,(H,10,11)(H,12,13)(H,14,15)/i1D,2D,3D
    • InChI Key: QMKYBPDZANOJGF-CBYSEHNBSA-N
    • SMILES: OC(C1C([2H])=C(C(=O)O)C([2H])=C(C(=O)O)C=1[2H])=O

Computed Properties

  • Exact Mass: 213.03526814g/mol
  • Monoisotopic Mass: 213.03526814g/mol
  • Isotope Atom Count: 3
  • Hydrogen Bond Donor Count: 3
  • Hydrogen Bond Acceptor Count: 6
  • Heavy Atom Count: 15
  • Rotatable Bond Count: 3
  • Complexity: 237
  • 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: 0.5
  • Topological Polar Surface Area: 112?2

1,3,5-benzene-2,4,6-d3-tricarboxylic acid Pricemore >>

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