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3222-48-8 | 5-Cyano-2-methylpyridine
CAS No: 3222-48-8 Catalog No: AG0037N8 MDL No:MFCD00038042
Product Description
Catalog Number:
AG0037N8
Chemical Name:
5-Cyano-2-methylpyridine
CAS Number:
3222-48-8
Molecular Formula:
C7H6N2
Molecular Weight:
118.1359
MDL Number:
MFCD00038042
IUPAC Name:
6-methylpyridine-3-carbonitrile
InChI:
InChI=1S/C7H6N2/c1-6-2-3-7(4-8)5-9-6/h2-3,5H,1H3
InChI Key:
PBLOYQAQGYUPCM-UHFFFAOYSA-N
SMILES:
N#Cc1ccc(nc1)C
NSC Number:
135042
Properties
Complexity:
133
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
118.053g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
118.139g/mol
Monoisotopic Mass:
118.053g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
36.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1
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