Cas no 38366-38-0 (1,8-Anthracenedicarboxylic acid, 9,10-dihydro-9,10-dioxo-)

1,8-Anthracenedicarboxylic acid, 9,10-dihydro-9,10-dioxo- structure
38366-38-0 structure
Product Name:1,8-Anthracenedicarboxylic acid, 9,10-dihydro-9,10-dioxo-
CAS No:38366-38-0
MF:C16H8O6
MW:296.23112487793
CID:1489309
PubChem ID:13659965
Update Time:2025-04-21

1,8-Anthracenedicarboxylic acid, 9,10-dihydro-9,10-dioxo- Chemical and Physical Properties

Names and Identifiers

    • 1,8-Anthracenedicarboxylic acid, 9,10-dihydro-9,10-dioxo-
    • 9,10-dioxoanthracene-1,8-dicarboxylic acid
    • DTXSID60546035
    • SCHEMBL69960
    • 38366-38-0
    • 9,10-DIOXO-9,10-DIHYDROANTHRACENE-1,8-DICARBOXYLIC ACID
    • Inchi: 1S/C16H8O6/c17-13-7-3-1-5-9(15(19)20)11(7)14(18)12-8(13)4-2-6-10(12)16(21)22/h1-6H,(H,19,20)(H,21,22)
    • InChI Key: INTHELHLZIGGHO-UHFFFAOYSA-N
    • SMILES: O=C1C2C(C(=O)O)=CC=CC=2C(C2C=CC=C(C(=O)O)C=21)=O

Computed Properties

  • Exact Mass: 296.03204
  • Monoisotopic Mass: 296.03208797g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 6
  • Heavy Atom Count: 22
  • Rotatable Bond Count: 2
  • Complexity: 495
  • 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: 1.9
  • Topological Polar Surface Area: 109?2

Experimental Properties

  • PSA: 108.74

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