Home Other Building Blocks 2-cyano-N-[(2-methylphenyl)methyl]acetamide

2-cyano-N-[(2-methylphenyl)methyl]acetamide

CAS No.:
566926-04-3
Catalog Number:
AG01B1I7
Molecular Formula:
C11H12N2O
Molecular Weight:
188.2258
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Product Description
Catalog Number:
AG01B1I7
Chemical Name:
2-cyano-N-[(2-methylphenyl)methyl]acetamide
CAS Number:
566926-04-3
Molecular Formula:
C11H12N2O
Molecular Weight:
188.2258
MDL Number:
MFCD16044208
IUPAC Name:
2-cyano-N-[(2-methylphenyl)methyl]acetamide
InChI:
InChI=1S/C11H12N2O/c1-9-4-2-3-5-10(9)8-13-11(14)6-7-12/h2-5H,6,8H2,1H3,(H,13,14)
InChI Key:
NXYAIOQQHKBFOH-UHFFFAOYSA-N
SMILES:
N#CCC(=O)NCc1ccccc1C
Properties
Complexity:
241  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
188.095g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
188.23g/mol
Monoisotopic Mass:
188.095g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
52.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3  
Properties