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Home > Pyridines > 189809-83-4
189809-83-4 | Pentanenitrile, 4-methyl-2-(2-pyridinylsulfinyl)-
CAS No: 189809-83-4 Catalog No: AG002DZP MDL No:
Product Description
Catalog Number:
AG002DZP
Chemical Name:
Pentanenitrile, 4-methyl-2-(2-pyridinylsulfinyl)-
CAS Number:
189809-83-4
Molecular Formula:
C11H14N2OS
Molecular Weight:
222.3067
IUPAC Name:
4-methyl-2-pyridin-2-ylsulfinylpentanenitrile
InChI:
InChI=1S/C11H14N2OS/c1-9(2)7-10(8-12)15(14)11-5-3-4-6-13-11/h3-6,9-10H,7H2,1-2H3
InChI Key:
UVRDKGXZKYWLFV-UHFFFAOYSA-N
SMILES:
N#CC(S(=O)c1ccccn1)CC(C)C
Properties
Complexity:
269
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
222.083g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
222.306g/mol
Monoisotopic Mass:
222.083g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
73A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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