Cas no 22895-22-3 (4-Ethoxybenzene-1,2-dicarboxylic acid)

4-Ethoxybenzene-1,2-dicarboxylic acid structure
22895-22-3 structure
Product Name:4-Ethoxybenzene-1,2-dicarboxylic acid
CAS No:22895-22-3
MF:C10H10O5
MW:210.183403491974
CID:2836808
PubChem ID:20600146
Update Time:2025-04-21

4-Ethoxybenzene-1,2-dicarboxylic acid Chemical and Physical Properties

Names and Identifiers

    • 4-Ethoxybenzene-1,2-dicarboxylic acid
    • DTXSID70609029
    • 22895-22-3
    • 1,2-Benzenedicarboxylic acid, 4-ethoxy-
    • DTXCID60559786
    • SCHEMBL930228
    • Inchi: 1S/C10H10O5/c1-2-15-6-3-4-7(9(11)12)8(5-6)10(13)14/h3-5H,2H2,1H3,(H,11,12)(H,13,14)
    • InChI Key: KHLNYSKHLDDQIZ-UHFFFAOYSA-N
    • SMILES: O(CC)C1C=CC(C(=O)O)=C(C(=O)O)C=1

Computed Properties

  • Exact Mass: 210.05282342Da
  • Monoisotopic Mass: 210.05282342Da
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 5
  • Heavy Atom Count: 15
  • Rotatable Bond Count: 4
  • Complexity: 250
  • 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: 1.6
  • Topological Polar Surface Area: 83.8?2
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