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Home > Pyridines > 303146-28-3
303146-28-3 | 5-acetyl-2-[(2E)-but-2-en-1-ylsulfanyl]-6-methylpyridine-3-carbonitrile
CAS No: 303146-28-3 Catalog No: AG00IUS3 MDL No:MFCD00793174
Product Description
Catalog Number:
AG00IUS3
Chemical Name:
5-acetyl-2-[(2E)-but-2-en-1-ylsulfanyl]-6-methylpyridine-3-carbonitrile
CAS Number:
303146-28-3
Molecular Formula:
C13H14N2OS
Molecular Weight:
246.3281
MDL Number:
MFCD00793174
IUPAC Name:
5-acetyl-2-but-2-enylsulfanyl-6-methylpyridine-3-carbonitrile
InChI:
InChI=1S/C13H14N2OS/c1-4-5-6-17-13-11(8-14)7-12(10(3)16)9(2)15-13/h4-5,7H,6H2,1-3H3
InChI Key:
OKHZZDGNKVIAJE-UHFFFAOYSA-N
SMILES:
C/C=C/CSc1nc(C)c(cc1C#N)C(=O)C
Properties
Complexity:
345
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
246.083g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
246.328g/mol
Monoisotopic Mass:
246.083g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
79A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
2.4
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