Cas no 1936190-16-7 (2-(1-oxopropan-2-yl)benzonitrile)

2-(1-oxopropan-2-yl)benzonitrile structure
1936190-16-7 structure
Product Name:2-(1-oxopropan-2-yl)benzonitrile
CAS No:1936190-16-7
MF:C10H9NO
MW:159.184562444687
CID:6419377
PubChem ID:131117006
Update Time:2024-01-10

2-(1-oxopropan-2-yl)benzonitrile Chemical and Physical Properties

Names and Identifiers

    • 2-(1-oxopropan-2-yl)benzonitrile
    • 1936190-16-7
    • EN300-1847898
    • Inchi: 1S/C10H9NO/c1-8(7-12)10-5-3-2-4-9(10)6-11/h2-5,7-8H,1H3
    • InChI Key: JDBNVXMSNFKXAD-UHFFFAOYSA-N
    • SMILES: O=CC(C)C1C=CC=CC=1C#N

Computed Properties

  • Exact Mass: 159.068413911g/mol
  • Monoisotopic Mass: 159.068413911g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 2
  • Complexity: 203
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 1
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 1.6
  • Topological Polar Surface Area: 40.9?2

2-(1-oxopropan-2-yl)benzonitrile Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
Enamine
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$986.0 2023-09-19
Enamine
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$827.0 2023-09-19
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$867.0 2023-09-19
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$906.0 2023-09-19
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Enamine
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$1142.0 2023-06-01
Enamine
EN300-1847898-2.5g
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