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7584-05-6 | 4-Cyano-3-methylpyridine
CAS No: 7584-05-6 Catalog No: AG00G3DR MDL No:MFCD09261048
Product Description
Catalog Number:
AG00G3DR
Chemical Name:
4-Cyano-3-methylpyridine
CAS Number:
7584-05-6
Molecular Formula:
C7H6N2
Molecular Weight:
118.1359
MDL Number:
MFCD09261048
IUPAC Name:
3-methylpyridine-4-carbonitrile
InChI:
InChI=1S/C7H6N2/c1-6-5-9-3-2-7(6)4-8/h2-3,5H,1H3
InChI Key:
SFNWPKSTEHBXSY-UHFFFAOYSA-N
SMILES:
N#Cc1ccncc1C
EC Number:
231-491-1
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:
0.9
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