Cas no 22362-59-0 (1-Heptanone, 1-(2-hydroxyphenyl)-)

1-Heptanone, 1-(2-hydroxyphenyl)- structure
22362-59-0 structure
Product Name:1-Heptanone, 1-(2-hydroxyphenyl)-
CAS No:22362-59-0
MF:C13H18O2
MW:206.280824184418
CID:1407780
PubChem ID:14917457
Update Time:2025-04-20

1-Heptanone, 1-(2-hydroxyphenyl)- Chemical and Physical Properties

Names and Identifiers

    • 1-Heptanone, 1-(2-hydroxyphenyl)-
    • 22362-59-0
    • SCHEMBL6696912
    • 1-(2-hydroxyphenyl)-1-heptanone
    • DTXSID501304270
    • Inchi： 1S/C13H18O2/c1-2-3-4-5-9-12(14)11-8-6-7-10-13(11)15/h6-8,10,15H,2-5,9H2,1H3
    • InChI Key： FBVPQPLFRSMOHX-UHFFFAOYSA-N
    • SMILES： O=C(C1C=CC=CC=1O)CCCCCC

Computed Properties

  • Exact Mass: 206.13074
  • Monoisotopic Mass: 206.130679813g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 15
  • Rotatable Bond Count: 6
  • Complexity: 189
  • 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: 4.5
  • Topological Polar Surface Area: 37.3?2

Experimental Properties

  • PSA: 37.3

1-Heptanone, 1-(2-hydroxyphenyl)- Related Literature

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