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2739-97-1 | 2-Pyridylacetonitrile
CAS No: 2739-97-1 Catalog No: AG0033FR MDL No:MFCD00006346
Product Description
Catalog Number:
AG0033FR
Chemical Name:
2-Pyridylacetonitrile
CAS Number:
2739-97-1
Molecular Formula:
C7H6N2
Molecular Weight:
118.1359
MDL Number:
MFCD00006346
IUPAC Name:
2-pyridin-2-ylacetonitrile
InChI:
InChI=1S/C7H6N2/c8-5-4-7-3-1-2-6-9-7/h1-3,6H,4H2
InChI Key:
UKVQBONVSSLJBB-UHFFFAOYSA-N
SMILES:
N#CCc1ccccn1
EC Number:
220-364-6
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:
0.6
Literature
| Title | Journal |
|---|---|
| Diaqua-bis-[5-(2-pyridyl-meth-yl)tetra-zol-ato-κN,N]zinc(II). | Acta crystallographica. Section E, Structure reports online 20110601 |
| 3-(Pyridin-2-yl)coumarin. | Acta crystallographica. Section E, Structure reports online 20101101 |
| Studies with azinylacetonitriles: 2-pyridylacetonitrile as a precursor to functionally substituted pyridines. | Molecules (Basel, Switzerland) 20091103 |
| Pyrazino[2,3-b]indolizine-10-carbonitrile. | Acta crystallographica. Section E, Structure reports online 20090401 |
| 1-[(Z)-2-Cyano-2-(2-pyrid-yl)vin-yl]-ferrocene. | Acta crystallographica. Section E, Structure reports online 20080801 |
| Diaqua-bis[5-(2-pyridylmeth-yl)tetra-zolato-κN,N]manganese(II). | Acta crystallographica. Section E, Structure reports online 20080801 |
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