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Home > Pyridines > 1000516-33-5
1000516-33-5 | 6-(cyanomethyl)pyridine-3-carbonitrile
CAS No: 1000516-33-5 Catalog No: AG00ISD0 MDL No:MFCD09924285
Product Description
Catalog Number:
AG00ISD0
Chemical Name:
6-(cyanomethyl)pyridine-3-carbonitrile
CAS Number:
1000516-33-5
Molecular Formula:
C8H5N3
Molecular Weight:
143.1454
MDL Number:
MFCD09924285
IUPAC Name:
6-(cyanomethyl)pyridine-3-carbonitrile
InChI:
InChI=1S/C8H5N3/c9-4-3-8-2-1-7(5-10)6-11-8/h1-2,6H,3H2
InChI Key:
XPIUYPRKILGRTK-UHFFFAOYSA-N
SMILES:
N#CCc1ccc(cn1)C#N
Properties
Complexity:
216
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
143.048g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
143.149g/mol
Monoisotopic Mass:
143.048g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
60.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.3
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