Cas no 131086-92-5 (3,4-dihydroxy-6H-benzo[c]chromen-6-one)

3,4-dihydroxy-6H-benzo[c]chromen-6-one structure
131086-92-5 structure
Product Name:3,4-dihydroxy-6H-benzo[c]chromen-6-one
CAS No:131086-92-5
MF:C13H8O4
MW:228.200223922729
CID:1232002
PubChem ID:5488046
Update Time:2025-04-20

3,4-dihydroxy-6H-benzo[c]chromen-6-one Chemical and Physical Properties

Names and Identifiers

    • 3,4-dihydroxy-6H-benzo[c]chromen-6-one
    • 6H-Dibenzo(b,d)pyran-6-one, 3,4-dihydroxy-
    • 3,4-dihydroxybenzo[c]chromen-6-one
    • DTXSID30156882
    • XVLDXKNPWFEZHU-UHFFFAOYSA-N
    • BDBM50215359
    • 131086-92-5
    • 3,4-Dihydroxy-6-H-dibenzo(b,d)pyran-6-one
    • SCHEMBL7987277
    • CHEMBL6364
    • Inchi: 1S/C13H8O4/c14-10-6-5-8-7-3-1-2-4-9(7)13(16)17-12(8)11(10)15/h1-6,14-15H
    • InChI Key: XVLDXKNPWFEZHU-UHFFFAOYSA-N
    • SMILES: O1C(C2C=CC=CC=2C2C=CC(=C(C1=2)O)O)=O

Computed Properties

  • Exact Mass: 228.04224
  • Monoisotopic Mass: 228.04225873g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 17
  • Rotatable Bond Count: 0
  • Complexity: 317
  • 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: 2.3
  • Topological Polar Surface Area: 66.8?2

Experimental Properties

  • PSA: 66.76
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