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Home > Pyridines > 1227269-01-3
1227269-01-3 | 2-Pyridineacetonitrile, 5-methyl-, hydrochloride (1:1)
CAS No: 1227269-01-3 Catalog No: AG000J49 MDL No:
Product Description
Catalog Number:
AG000J49
Chemical Name:
2-Pyridineacetonitrile, 5-methyl-, hydrochloride (1:1)
CAS Number:
1227269-01-3
Molecular Formula:
C8H9ClN2
Molecular Weight:
168.6235
IUPAC Name:
2-(5-methylpyridin-2-yl)acetonitrile;hydrochloride
InChI:
InChI=1S/C8H8N2.ClH/c1-7-2-3-8(4-5-9)10-6-7;/h2-3,6H,4H2,1H3;1H
InChI Key:
DOQGYWPHEPDJFQ-UHFFFAOYSA-N
SMILES:
N#CCc1ccc(cn1)C.Cl
Properties
Complexity:
145
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
168.045g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
168.624g/mol
Monoisotopic Mass:
168.045g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
36.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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