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Home > Pyridines > 249583-84-4
249583-84-4 | 2-Pyridinecarbonitrile, 5-acetyl-
CAS No: 249583-84-4 Catalog No: AG002PZ3 MDL No:
Product Description
Catalog Number:
AG002PZ3
Chemical Name:
2-Pyridinecarbonitrile, 5-acetyl-
CAS Number:
249583-84-4
Molecular Formula:
C8H6N2O
Molecular Weight:
146.1460
IUPAC Name:
5-acetylpyridine-2-carbonitrile
InChI:
InChI=1S/C8H6N2O/c1-6(11)7-2-3-8(4-9)10-5-7/h2-3,5H,1H3
InChI Key:
XKHZUBPLEFQIEM-UHFFFAOYSA-N
SMILES:
N#Cc1ccc(cn1)C(=O)C
Properties
Complexity:
203
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
146.048g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
146.149g/mol
Monoisotopic Mass:
146.048g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
53.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6
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