Home Nitriles 5-Acetylpyrazine-2-carbonitrile

5-Acetylpyrazine-2-carbonitrile

CAS No.:
916333-43-2
Catalog Number:
AG006F7A
Molecular Formula:
C7H5N3O
Molecular Weight:
147.1341
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Product Description
Catalog Number:
AG006F7A
Chemical Name:
5-Acetylpyrazine-2-carbonitrile
CAS Number:
916333-43-2
Molecular Formula:
C7H5N3O
Molecular Weight:
147.1341
MDL Number:
MFCD15144334
IUPAC Name:
5-acetylpyrazine-2-carbonitrile
InChI:
InChI=1S/C7H5N3O/c1-5(11)7-4-9-6(2-8)3-10-7/h3-4H,1H3
InChI Key:
SRCTYSHBUFUPHW-UHFFFAOYSA-N
SMILES:
N#Cc1ncc(nc1)C(=O)C
Properties
Complexity:
205  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
147.043g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
147.137g/mol
Monoisotopic Mass:
147.043g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
66.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.1  
Properties