Cas no 544476-00-8 ([1,1'-Biphenyl]-2,3',4',5-tetracarboxylic acid)

[1,1'-Biphenyl]-2,3',4',5-tetracarboxylic acid structure
544476-00-8 structure
Product Name:[1,1'-Biphenyl]-2,3',4',5-tetracarboxylic acid
CAS No:544476-00-8
MF:C16H10O8
MW:330.245805263519
CID:4029991
PubChem ID:20497396
Update Time:2025-04-22

[1,1'-Biphenyl]-2,3',4',5-tetracarboxylic acid Chemical and Physical Properties

Names and Identifiers

    • [1,1'-Biphenyl]-2,3',4',5-tetracarboxylic acid
    • [1,1a(2)-Biphenyl]-2,3a(2),4a(2),5-tetracarboxylic acid
    • SCHEMBL10786825
    • DTXSID701247220
    • 544476-00-8
    • Inchi: 1S/C16H10O8/c17-13(18)8-2-4-9(14(19)20)11(6-8)7-1-3-10(15(21)22)12(5-7)16(23)24/h1-6H,(H,17,18)(H,19,20)(H,21,22)(H,23,24)
    • InChI Key: PJPBLIXXXQPAOW-UHFFFAOYSA-N
    • SMILES: OC(C1C=CC(C(=O)O)=CC=1C1C=CC(C(=O)O)=C(C(=O)O)C=1)=O

Computed Properties

  • Exact Mass: 330.03756727Da
  • Monoisotopic Mass: 330.03756727Da
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 4
  • Hydrogen Bond Acceptor Count: 8
  • Heavy Atom Count: 24
  • Rotatable Bond Count: 5
  • Complexity: 542
  • 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: 1.7
  • Topological Polar Surface Area: 149?2
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