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6443-85-2 | 2-(Pyridin-3-yl)acetonitrile
CAS No: 6443-85-2 Catalog No: AG003F4F MDL No:MFCD00006406
Product Description
Catalog Number:
AG003F4F
Chemical Name:
2-(Pyridin-3-yl)acetonitrile
CAS Number:
6443-85-2
Molecular Formula:
C7H6N2
Molecular Weight:
118.1359
MDL Number:
MFCD00006406
IUPAC Name:
2-pyridin-3-ylacetonitrile
InChI:
InChI=1S/C7H6N2/c8-4-3-7-2-1-5-9-6-7/h1-2,5-6H,3H2
InChI Key:
OIPHWUPMXHQWLR-UHFFFAOYSA-N
SMILES:
N#CCc1cccnc1
EC Number:
229-241-1
NSC Number:
83226
Properties
Complexity:
122
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:
1
Topological Polar Surface Area:
36.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5
Literature
| Title | Journal |
|---|---|
| catena-Poly[[(3-methyl-pyridine)-copper(I)]-μ-cyanido-copper(I)-μ-cyanido]. | Acta crystallographica. Section E, Structure reports online 20110801 |
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