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68063-72-9

68063-72-9 | Pyridine, 4-[(1E)-2-(methylsulfonyl)ethenyl]-

CAS No: 68063-72-9 Catalog No: AG006G37 MDL No:

Product Description

Catalog Number:
AG006G37
Chemical Name:
Pyridine, 4-[(1E)-2-(methylsulfonyl)ethenyl]-
CAS Number:
68063-72-9
Molecular Formula:
C8H9NO2S
Molecular Weight:
183.2276
IUPAC Name:
4-(2-methylsulfonylethenyl)pyridine
InChI:
InChI=1S/C8H9NO2S/c1-12(10,11)7-4-8-2-5-9-6-3-8/h2-7H,1H3
InChI Key:
PQPQSUGNCBKFEP-UHFFFAOYSA-N
SMILES:
CS(=O)(=O)/C=C/c1ccncc1

Properties

Complexity:
245  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
183.035g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
183.225g/mol
Monoisotopic Mass:
183.035g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
55.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1  
XLogP3:
0.5  

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