Cas no 109765-60-8 (1,2-Benzenediol, 3,6-dimethoxy-)

1,2-Benzenediol, 3,6-dimethoxy- structure
109765-60-8 structure
Product Name:1,2-Benzenediol, 3,6-dimethoxy-
CAS No:109765-60-8
MF:C8H10O4
MW:170.162602901459
CID:1189208
PubChem ID:11182873
Update Time:2025-04-20

1,2-Benzenediol, 3,6-dimethoxy- Chemical and Physical Properties

Names and Identifiers

    • 1,2-Benzenediol, 3,6-dimethoxy-
    • 3,6-dimethoxy-1,2-benzenediol
    • SCHEMBL69957
    • 109765-60-8
    • 3,6-dimethoxybenzene-1,2-diol
    • Inchi： 1S/C8H10O4/c1-11-5-3-4-6(12-2)8(10)7(5)9/h3-4,9-10H,1-2H3
    • InChI Key： VGULQRVGQOWFOY-UHFFFAOYSA-N
    • SMILES： COC1C(O)=C(O)C(OC)=CC=1

Computed Properties

  • Exact Mass: 170.0579
  • Monoisotopic Mass: 170.05790880g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 2
  • Complexity: 123
  • 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: 0.8
  • Topological Polar Surface Area: 58.9?2

Experimental Properties

  • PSA: 58.92

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