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26088-79-9 | Acetamide, N-[4-(2,2-dicyanoethenyl)phenyl]-
CAS No: 26088-79-9 Catalog No: AG002RME MDL No:MFCD00019786
Product Description
Catalog Number:
AG002RME
Chemical Name:
Acetamide, N-[4-(2,2-dicyanoethenyl)phenyl]-
CAS Number:
26088-79-9
Molecular Formula:
C12H9N3O
Molecular Weight:
211.2194
MDL Number:
MFCD00019786
IUPAC Name:
N-[4-(2,2-dicyanoethenyl)phenyl]acetamide
InChI:
InChI=1S/C12H9N3O/c1-9(16)15-12-4-2-10(3-5-12)6-11(7-13)8-14/h2-6H,1H3,(H,15,16)
InChI Key:
HDJOIOGUBRECCC-UHFFFAOYSA-N
SMILES:
N#CC(=Cc1ccc(cc1)NC(=O)C)C#N
NSC Number:
56077
Properties
Complexity:
367
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
211.075g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
211.224g/mol
Monoisotopic Mass:
211.075g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
76.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
Literature
| Title | Journal |
|---|---|
| Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. | Bioorganic & medicinal chemistry letters 20101101 |
| Tyrphostins. 2. Heterocyclic and alpha-substituted benzylidenemalononitrile tyrphostins as potent inhibitors of EGF receptor and ErbB2/neu tyrosine kinases. | Journal of medicinal chemistry 19910601 |
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