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Home > Pyridines > 156861-46-0
156861-46-0 | 3-Pyridinecarbonitrile, 4-(1,1-dimethylethyl)-
CAS No: 156861-46-0 Catalog No: AG001P16 MDL No:MFCD09863877
Product Description
Catalog Number:
AG001P16
Chemical Name:
3-Pyridinecarbonitrile, 4-(1,1-dimethylethyl)-
CAS Number:
156861-46-0
Molecular Formula:
C10H12N2
Molecular Weight:
160.2157
MDL Number:
MFCD09863877
IUPAC Name:
4-tert-butylpyridine-3-carbonitrile
InChI:
InChI=1S/C10H12N2/c1-10(2,3)9-4-5-12-7-8(9)6-11/h4-5,7H,1-3H3
InChI Key:
ZJDQDUMPOPOFSR-UHFFFAOYSA-N
SMILES:
N#Cc1cnccc1C(C)(C)C
Properties
Complexity:
194
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
160.1g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
160.22g/mol
Monoisotopic Mass:
160.1g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
36.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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