Cas no 6294-61-7 (1-(Pyridin-3-yl)heptan-1-one)

1-(Pyridin-3-yl)heptan-1-one structure
1-(Pyridin-3-yl)heptan-1-one structure
Product Name:1-(Pyridin-3-yl)heptan-1-one
CAS No:6294-61-7
MF:C12H17NO
MW:191.269483327866
CID:958366
PubChem ID:222709
Update Time:2025-04-19

1-(Pyridin-3-yl)heptan-1-one Chemical and Physical Properties

Names and Identifiers

    • 1-(Pyridin-3-yl)heptan-1-one
    • 1-Pyridin-3-yl-heptan-1-one
    • 1-pyridin-3-ylheptan-1-one
    • 1-[3]Pyridyl-heptan-1-on
    • 1-[3]pyridyl-heptan-1-one
    • 3-heptanoylpyridine
    • AC1L5C0O
    • AC1Q5FRF
    • CTK5B6743
    • KST-1B7689
    • n-hexyl 3-pyridyl ketone
    • NSC9493
    • SureCN551914
    • NSC-9493
    • WJKSBMMOBQQEDB-UHFFFAOYSA-N
    • SB53977
    • 6294-61-7
    • SCHEMBL551914
    • AKOS011913465
    • DTXSID50278717
    • Inchi: 1S/C12H17NO/c1-2-3-4-5-8-12(14)11-7-6-9-13-10-11/h6-7,9-10H,2-5,8H2,1H3
    • InChI Key: WJKSBMMOBQQEDB-UHFFFAOYSA-N
    • SMILES: O=C(C1C=NC=CC=1)CCCCCC

Computed Properties

  • Exact Mass: 191.13111
  • Monoisotopic Mass: 191.131014166g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 14
  • Rotatable Bond Count: 6
  • Complexity: 168
  • 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: 2.9
  • Topological Polar Surface Area: 30?2

Experimental Properties

  • PSA: 29.96

1-(Pyridin-3-yl)heptan-1-one Pricemore >>

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