Cas no 187481-33-0 (3,7-Benzofurandiol)

3,7-Benzofurandiol structure
3,7-Benzofurandiol structure
Product Name:3,7-Benzofurandiol
CAS No:187481-33-0
MF:C8H6O3
MW:150.131442546844
CID:115036
PubChem ID:45122592
Update Time:2025-04-18

3,7-Benzofurandiol Chemical and Physical Properties

Names and Identifiers

    • 3,7-Benzofurandiol
    • 1-benzofuran-3,7-diol
    • DTXSID90669347
    • 3-hydroxy-7-hydroxybenzofuran
    • 187481-33-0
    • Benzofuran-3,7-diol
    • Inchi: 1S/C8H6O3/c9-6-3-1-2-5-7(10)4-11-8(5)6/h1-4,9-10H
    • InChI Key: MGKXFRSMTQMJDI-UHFFFAOYSA-N
    • SMILES: O1C=C(C2C=CC=C(C1=2)O)O

Computed Properties

  • Exact Mass: 150.03168
  • Monoisotopic Mass: 150.031694049g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 11
  • Rotatable Bond Count: 0
  • Complexity: 148
  • 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: 53.6?2

Experimental Properties

  • PSA: 53.6

3,7-Benzofurandiol Related Literature

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