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Home > Pyridines > 1000340-96-4
1000340-96-4 | 2-Pyridinecarbonitrile, 5-(acetyloxy)-
CAS No: 1000340-96-4 Catalog No: AG0000F2 MDL No:
Product Description
Catalog Number:
AG0000F2
Chemical Name:
2-Pyridinecarbonitrile, 5-(acetyloxy)-
CAS Number:
1000340-96-4
Molecular Formula:
C8H6N2O2
Molecular Weight:
162.1454
IUPAC Name:
(6-cyanopyridin-3-yl) acetate
InChI:
InChI=1S/C8H6N2O2/c1-6(11)12-8-3-2-7(4-9)10-5-8/h2-3,5H,1H3
InChI Key:
NVSWNVIAPRLSCE-UHFFFAOYSA-N
SMILES:
N#Cc1ccc(cn1)OC(=O)C
Properties
Complexity:
218
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
162.043g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
162.148g/mol
Monoisotopic Mass:
162.043g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
63A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
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