Cas no 55720-84-8 (1,4-Naphthalenedione, 2-(1-hydroxyethyl)-)

1,4-Naphthalenedione, 2-(1-hydroxyethyl)- structure
55720-84-8 structure
Product Name:1,4-Naphthalenedione, 2-(1-hydroxyethyl)-
CAS No:55720-84-8
MF:C12H10O3
MW:202.206003665924
CID:351053
PubChem ID:11481099
Update Time:2025-04-19

1,4-Naphthalenedione, 2-(1-hydroxyethyl)- Chemical and Physical Properties

Names and Identifiers

    • 1,4-Naphthalenedione, 2-(1-hydroxyethyl)-
    • 2-(1-hydroxyethyl)naphthalene-1,4-dione
    • SCHEMBL5817375
    • DTXSID40467234
    • CHEMBL2334939
    • IFGYOGFPTOLNSE-UHFFFAOYSA-N
    • 55720-84-8
    • Inchi: 1S/C12H10O3/c1-7(13)10-6-11(14)8-4-2-3-5-9(8)12(10)15/h2-7,13H,1H3
    • InChI Key: IFGYOGFPTOLNSE-UHFFFAOYSA-N
    • SMILES: OC(C)C1=CC(C2C=CC=CC=2C1=O)=O

Computed Properties

  • Exact Mass: 202.063
  • Monoisotopic Mass: 202.062994177g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 15
  • Rotatable Bond Count: 1
  • Complexity: 330
  • 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: 1.9
  • Topological Polar Surface Area: 54.4?2

Experimental Properties

  • PSA: 54.37
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