Cas no 98116-49-5 (3-(3-oxoprop-1-en-1-yl)benzonitrile)

3-(3-oxoprop-1-en-1-yl)benzonitrile structure
98116-49-5 structure
Product Name:3-(3-oxoprop-1-en-1-yl)benzonitrile
CAS No:98116-49-5
MF:C10H7NO
MW:157.168682336807
CID:750735
PubChem ID:12221145
Update Time:2025-04-19

3-(3-oxoprop-1-en-1-yl)benzonitrile Chemical and Physical Properties

Names and Identifiers

    • Benzonitrile, 3-[(1E)-3-oxo-1-propenyl]-
    • 3-(3-oxoprop-1-enyl)benzonitrile
    • 3-(3-oxoprop-1-en-1-yl)benzonitrile
    • SCHEMBL1435468
    • 98116-49-5
    • CS-0305455
    • EN300-1246105
    • Inchi： 1S/C10H7NO/c11-8-10-4-1-3-9(7-10)5-2-6-12/h1-7H/b5-2+
    • InChI Key： XMKZFCPGOLTXGQ-GORDUTHDSA-N
    • SMILES： O=C/C=C/C1C=CC=C(C#N)C=1

Computed Properties

  • Exact Mass: 157.052763847g/mol
  • Monoisotopic Mass: 157.052763847g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 2
  • Complexity: 223
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 1
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 1.5
  • Topological Polar Surface Area: 40.9?2

3-(3-oxoprop-1-en-1-yl)benzonitrile Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
Enamine
EN300-1246105-50mg
3-(3-oxoprop-1-en-1-yl)benzonitrile
 98116-49-5
50mg
 $227.0 2023-10-02
Enamine
EN300-1246105-100mg
3-(3-oxoprop-1-en-1-yl)benzonitrile
 98116-49-5
100mg
 $238.0 2023-10-02
Enamine
EN300-1246105-250mg
3-(3-oxoprop-1-en-1-yl)benzonitrile
 98116-49-5
250mg
 $249.0 2023-10-02
Enamine
EN300-1246105-500mg
3-(3-oxoprop-1-en-1-yl)benzonitrile
 98116-49-5
500mg
 $260.0 2023-10-02
Enamine
EN300-1246105-1000mg
3-(3-oxoprop-1-en-1-yl)benzonitrile
 98116-49-5
1000mg
 $271.0 2023-10-02
Enamine
EN300-1246105-2500mg
3-(3-oxoprop-1-en-1-yl)benzonitrile
 98116-49-5
2500mg
 $529.0 2023-10-02
Enamine
EN300-1246105-5000mg
3-(3-oxoprop-1-en-1-yl)benzonitrile
 98116-49-5
5000mg
 $783.0 2023-10-02
Enamine
EN300-1246105-10000mg
3-(3-oxoprop-1-en-1-yl)benzonitrile
 98116-49-5
10000mg
 $1163.0 2023-10-02
Enamine
EN300-1246105-0.05g
3-(3-oxoprop-1-en-1-yl)benzonitrile
 98116-49-5
0.05g
 $660.0 2023-06-08
Enamine
EN300-1246105-0.1g
3-(3-oxoprop-1-en-1-yl)benzonitrile
 98116-49-5
0.1g
 $691.0 2023-06-08

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