Cas no 131086-97-0 (6H-Dibenzo[b,d]pyran-6-one,3,7-dihydroxy-)

6H-Dibenzo[b,d]pyran-6-one,3,7-dihydroxy- structure
131086-97-0 structure
Product Name:6H-Dibenzo[b,d]pyran-6-one,3,7-dihydroxy-
CAS No:131086-97-0
MF:C13H8O4
MW:228.200223922729
CID:228406
PubChem ID:5488049
Update Time:2025-04-19

6H-Dibenzo[b,d]pyran-6-one,3,7-dihydroxy- Chemical and Physical Properties

Names and Identifiers

    • 6H-Dibenzo[b,d]pyran-6-one,3,7-dihydroxy-
    • 6H-Dibenzo(b,d)pyran-6-one, 3,7-dihydroxy-
    • 3,7-dihydroxybenzo[c]chromen-6-one
    • DTXSID10156885
    • 131086-97-0
    • Inchi: 1S/C13H8O4/c14-7-4-5-8-9-2-1-3-10(15)12(9)13(16)17-11(8)6-7/h1-6,14-15H
    • InChI Key: CJXANWCSMBKJHE-UHFFFAOYSA-N
    • SMILES: O1C(C2C(=CC=CC=2C2C=CC(=CC1=2)O)O)=O

Computed Properties

  • Exact Mass: 228.04224
  • Monoisotopic Mass: 228.042259
  • 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
  • Topological Polar Surface Area: 66.8
  • XLogP3: 2.9

Experimental Properties

  • Density: 1.516
  • Boiling Point: 494.2°Cat760mmHg
  • Flash Point: 200.2°C
  • Refractive Index: 1.717
  • PSA: 66.76

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