Cas no 6093-67-0 (2H-1-Benzopyran-2-one,5-hydroxy-)

2H-1-Benzopyran-2-one,5-hydroxy- structure
6093-67-0 structure
Product Name:2H-1-Benzopyran-2-one,5-hydroxy-
CAS No:6093-67-0
MF:C9H6O3
MW:162.142142772675
CID:517380
PubChem ID:5318179
Update Time:2025-04-19

2H-1-Benzopyran-2-one,5-hydroxy- Chemical and Physical Properties

Names and Identifiers

    • 2H-1-Benzopyran-2-one,5-hydroxy-
    • 5-hydroxychromen-2-one
    • 5-Hydroxycoumarin
    • 5-Hydroxy-2H-1-benzopyran-2-one
    • Coumarin, 5-hydroxy-
    • SCHEMBL450134
    • 6093-67-0
    • CHEMBL452422
    • CDHSCTCRBLLCBJ-UHFFFAOYSA-N
    • DTXSID60209759
    • SCHEMBL8491671
    • AKOS025399392
    • CHEBI:193449
    • 32942-76-0
    • 2H-1-Benzopyran-2-one, 5-hydroxy-
    • 5-hydroxy-2H-chromen-2-one
    • Inchi: 1S/C9H6O3/c10-7-2-1-3-8-6(7)4-5-9(11)12-8/h1-5,10H
    • InChI Key: CDHSCTCRBLLCBJ-UHFFFAOYSA-N
    • SMILES: O1C(C=CC2C(=CC=CC1=2)O)=O

Computed Properties

  • Exact Mass: 162.03168
  • Monoisotopic Mass: 162.031694049g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 0
  • Complexity: 222
  • 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: 46.5?2
  • XLogP3: 1.6

Experimental Properties

  • Density: 1.403
  • Boiling Point: 358.7°C at 760 mmHg
  • Flash Point: 168.7°C
  • Refractive Index: 1.64
  • PSA: 46.53

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