Cas no 90470-81-8 (8a-Methyloctahydronaphthalene-4a(2H)-carbonitrile)

8a-Methyloctahydronaphthalene-4a(2H)-carbonitrile structure
90470-81-8 structure
Product Name:8a-Methyloctahydronaphthalene-4a(2H)-carbonitrile
CAS No:90470-81-8
MF:C12H19N
MW:177.28596329689
CID:2812277
Update Time:2023-08-07

8a-Methyloctahydronaphthalene-4a(2H)-carbonitrile Chemical and Physical Properties

Names and Identifiers

    • 4a(2H)-Naphthalenecarbonitrile, octahydro-8a-methyl-, cis-
    • 8a-Methyloctahydronaphthalene-4a(2H)-carbonitrile
    • Inchi: 1S/C12H19N/c1-11-6-2-4-8-12(11,10-13)9-5-3-7-11/h2-9H2,1H3
    • InChI Key: QBPHVSDHJODIGP-UHFFFAOYSA-N
    • SMILES: N#CC12CCCCC1(C)CCCC2

Computed Properties

  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 13
  • Rotatable Bond Count: 0
  • Complexity: 233
  • XLogP3: 3.9
  • Topological Polar Surface Area: 23.8
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