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Home > Pyridines > 131747-37-0
131747-37-0 | 2-Pyridinecarbonitrile, 5-[(acetyloxy)methyl]-
CAS No: 131747-37-0 Catalog No: AG000ZND MDL No:MFCD09030109
Product Description
Catalog Number:
AG000ZND
Chemical Name:
2-Pyridinecarbonitrile, 5-[(acetyloxy)methyl]-
CAS Number:
131747-37-0
Molecular Formula:
C9H8N2O2
Molecular Weight:
176.1720
MDL Number:
MFCD09030109
IUPAC Name:
(6-cyanopyridin-3-yl)methyl acetate
InChI:
InChI=1S/C9H8N2O2/c1-7(12)13-6-8-2-3-9(4-10)11-5-8/h2-3,5H,6H2,1H3
InChI Key:
UDCDSWBUQMQWRE-UHFFFAOYSA-N
SMILES:
N#Cc1ccc(cn1)COC(=O)C
Properties
Complexity:
231
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
176.059g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
176.175g/mol
Monoisotopic Mass:
176.059g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
63A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6
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