Cas no 131086-93-6 (6H-Dibenzo[b,d]pyran-6-one,4-hydroxy-3-methoxy-)

6H-Dibenzo[b,d]pyran-6-one,4-hydroxy-3-methoxy- structure
131086-93-6 structure
Product Name:6H-Dibenzo[b,d]pyran-6-one,4-hydroxy-3-methoxy-
CAS No:131086-93-6
MF:C14H10O4
MW:242.226804256439
CID:204261
PubChem ID:148356
Update Time:2025-04-19

6H-Dibenzo[b,d]pyran-6-one,4-hydroxy-3-methoxy- Chemical and Physical Properties

Names and Identifiers

    • 6H-Dibenzo[b,d]pyran-6-one,4-hydroxy-3-methoxy-
    • 6H-Dibenzo(b,d)pyran-6-one, 4-hydroxy-3-methoxy-
    • 4-hydroxy-3-methoxybenzo[c]chromen-6-one
    • DTXSID90156883
    • SCHEMBL9747411
    • 131086-93-6
    • Inchi: 1S/C14H10O4/c1-17-11-7-6-9-8-4-2-3-5-10(8)14(16)18-13(9)12(11)15/h2-7,15H,1H3
    • InChI Key: CNCHVCORVGDITI-UHFFFAOYSA-N
    • SMILES: O1C(C2C=CC=CC=2C2C=CC(=C(C1=2)O)OC)=O

Computed Properties

  • Exact Mass: 242.0579
  • Monoisotopic Mass: 242.057909
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 18
  • Rotatable Bond Count: 1
  • Complexity: 330
  • 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: 55.8
  • XLogP3: 2.7

Experimental Properties

  • Density: 1.375
  • Boiling Point: 427.3°Cat760mmHg
  • Flash Point: 167.5°C
  • Refractive Index: 1.648
  • PSA: 55.76
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