Home Other Building Blocks 2-cyano-N-(3,4-dimethoxyphenyl)acetamide

2-cyano-N-(3,4-dimethoxyphenyl)acetamide

CAS No.:
438030-91-2
Catalog Number:
AG019GVC
Molecular Formula:
C11H12N2O3
Molecular Weight:
220.2246
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Product Description
Catalog Number:
AG019GVC
Chemical Name:
2-cyano-N-(3,4-dimethoxyphenyl)acetamide
CAS Number:
438030-91-2
Molecular Formula:
C11H12N2O3
Molecular Weight:
220.2246
MDL Number:
MFCD03478355
IUPAC Name:
2-cyano-N-(3,4-dimethoxyphenyl)acetamide
InChI:
InChI=1S/C11H12N2O3/c1-15-9-4-3-8(7-10(9)16-2)13-11(14)5-6-12/h3-4,7H,5H2,1-2H3,(H,13,14)
InChI Key:
FQSFOQOBZIALFQ-UHFFFAOYSA-N
SMILES:
N#CCC(=O)Nc1ccc(c(c1)OC)OC
Properties
Complexity:
284  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
220.085g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
220.228g/mol
Monoisotopic Mass:
220.085g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
71.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4  
Literature
Title Journal
Microsphere-based protease assays and screening application for lethal factor and factor Xa. Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501
Properties