Cas no 1467-01-2 (9-Anthracenecarbonitrile, 10-methyl-)

9-Anthracenecarbonitrile, 10-methyl- structure
1467-01-2 structure
Product Name:9-Anthracenecarbonitrile, 10-methyl-
CAS No:1467-01-2
MF:C16H11N
MW:217.265243768692
CID:1317476
PubChem ID:12617916
Update Time:2025-04-20

9-Anthracenecarbonitrile, 10-methyl- Chemical and Physical Properties

Names and Identifiers

    • 9-Anthracenecarbonitrile, 10-methyl-
    • 10-methylanthracene-9-carbonitrile
    • DTXSID30504526
    • 10-cyano-9-methylanthracene
    • 1467-01-2
    • SCHEMBL12495375
    • Inchi: 1S/C16H11N/c1-11-12-6-2-4-8-14(12)16(10-17)15-9-5-3-7-13(11)15/h2-9H,1H3
    • InChI Key: WZWRZJWPLAVPPD-UHFFFAOYSA-N
    • SMILES: N#CC1C2C=CC=CC=2C(C)=C2C=CC=CC2=1

Computed Properties

  • Exact Mass: 217.08923
  • Monoisotopic Mass: 217.089149355g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 17
  • Rotatable Bond Count: 0
  • Complexity: 302
  • 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: 23.8?2

Experimental Properties

  • PSA: 23.79
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