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Home > Pyridines > 132855-00-6
132855-00-6 | 4-Pyridinecarbonitrile, 2,6-diacetyl-
CAS No: 132855-00-6 Catalog No: AG00119S MDL No:
Product Description
Catalog Number:
AG00119S
Chemical Name:
4-Pyridinecarbonitrile, 2,6-diacetyl-
CAS Number:
132855-00-6
Molecular Formula:
C10H8N2O2
Molecular Weight:
188.1827
IUPAC Name:
2,6-diacetylpyridine-4-carbonitrile
InChI:
InChI=1S/C10H8N2O2/c1-6(13)9-3-8(5-11)4-10(12-9)7(2)14/h3-4H,1-2H3
InChI Key:
DDOKVJSJTVWTLX-UHFFFAOYSA-N
SMILES:
N#Cc1cc(nc(c1)C(=O)C)C(=O)C
Properties
Complexity:
281
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
188.059g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
188.186g/mol
Monoisotopic Mass:
188.059g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
70.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6
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