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Home Other Building Blocks N-(4-cyanophenyl)propanamide

N-(4-cyanophenyl)propanamide

CAS No.:
314764-76-6
Catalog Number:
AG019LHZ
Molecular Formula:
C10H10N2O
Molecular Weight:
174.1992
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Product Description
Catalog Number:
AG019LHZ
Chemical Name:
N-(4-cyanophenyl)propanamide
CAS Number:
314764-76-6
Molecular Formula:
C10H10N2O
Molecular Weight:
174.1992
MDL Number:
MFCD01812189
IUPAC Name:
N-(4-cyanophenyl)propanamide
InChI:
InChI=1S/C10H10N2O/c1-2-10(13)12-9-5-3-8(7-11)4-6-9/h3-6H,2H2,1H3,(H,12,13)
InChI Key:
VFDJCIHJJXJTPQ-UHFFFAOYSA-N
SMILES:
CCC(=O)Nc1ccc(cc1)C#N
Properties
Complexity:
220  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
174.079g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
174.203g/mol
Monoisotopic Mass:
174.079g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
52.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8  
Literature
Title Journal
Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. Bioorganic & medicinal chemistry letters 20101101
Properties