Cas no 82947-33-9 (1H-indene-1,3-dicarboxylic Acid)

1H-indene-1,3-dicarboxylic Acid structure
82947-33-9 structure
Product Name:1H-indene-1,3-dicarboxylic Acid
CAS No:82947-33-9
MF:C11H8O4
MW:204.178823471069
CID:2804228
PubChem ID:11564687
Update Time:2025-04-21

1H-indene-1,3-dicarboxylic Acid Chemical and Physical Properties

Names and Identifiers

    • DTXSID80468664
    • 1H-indene-1,3-dicarboxylic Acid
    • 82947-33-9
    • Inchi: 1S/C11H8O4/c12-10(13)8-5-9(11(14)15)7-4-2-1-3-6(7)8/h1-5,8H,(H,12,13)(H,14,15)
    • InChI Key: GREASTGUZRWOPX-UHFFFAOYSA-N
    • SMILES: OC(C1C=C(C(=O)O)C2C=CC=CC1=2)=O

Computed Properties

  • Exact Mass: 204.04225873Da
  • Monoisotopic Mass: 204.04225873Da
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 15
  • Rotatable Bond Count: 2
  • Complexity: 331
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 1
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 1.2
  • Topological Polar Surface Area: 74.6?2
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