Cas no 5173-09-1 (1-Heptanone, 1-[1,1':4',1''-terphenyl]-4-yl-)

1-Heptanone, 1-[1,1':4',1''-terphenyl]-4-yl- structure
5173-09-1 structure
Product Name:1-Heptanone, 1-[1,1':4',1''-terphenyl]-4-yl-
CAS No:5173-09-1
MF:C25H26O
MW:342.473347187042
CID:1573709
PubChem ID:12721121
Update Time:2025-04-21

1-Heptanone, 1-[1,1':4',1''-terphenyl]-4-yl- Chemical and Physical Properties

Names and Identifiers

    • 1-Heptanone, 1-[1,1':4',1''-terphenyl]-4-yl-
    • DTXSID70508043
    • 5173-09-1
    • 1-([1~1~,2~1~:2~4~,3~1~-Terphenyl]-1~4~-yl)heptan-1-one
    • Inchi: 1S/C25H26O/c1-2-3-4-8-11-25(26)24-18-16-23(17-19-24)22-14-12-21(13-15-22)20-9-6-5-7-10-20/h5-7,9-10,12-19H,2-4,8,11H2,1H3
    • InChI Key: MGDQOWUWMSUNOB-UHFFFAOYSA-N
    • SMILES: O=C(C1C=CC(=CC=1)C1C=CC(C2C=CC=CC=2)=CC=1)CCCCCC

Computed Properties

  • Exact Mass: 342.19848
  • Monoisotopic Mass: 342.198365449g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 26
  • Rotatable Bond Count: 8
  • Complexity: 392
  • 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: 7.6
  • Topological Polar Surface Area: 17.1?2

Experimental Properties

  • PSA: 17.07
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