Home Other Building Blocks 3-cyano-N-(prop-2-yn-1-yl)benzamide

3-cyano-N-(prop-2-yn-1-yl)benzamide

CAS No.:
1017048-13-3
Catalog Number:
AG019W41
Molecular Formula:
C11H8N2O
Molecular Weight:
184.1940
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Product Description
Catalog Number:
AG019W41
Chemical Name:
3-cyano-N-(prop-2-yn-1-yl)benzamide
CAS Number:
1017048-13-3
Molecular Formula:
C11H8N2O
Molecular Weight:
184.1940
MDL Number:
MFCD09944193
IUPAC Name:
3-cyano-N-prop-2-ynylbenzamide
InChI:
InChI=1S/C11H8N2O/c1-2-6-13-11(14)10-5-3-4-9(7-10)8-12/h1,3-5,7H,6H2,(H,13,14)
InChI Key:
YSJFRQSACYZLRX-UHFFFAOYSA-N
SMILES:
C#CCNC(=O)c1cccc(c1)C#N
Properties
Complexity:
304  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
184.064g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
184.198g/mol
Monoisotopic Mass:
184.064g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
52.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3  
Properties