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Home > Pyridines > 190966-40-6
190966-40-6 | 2-Cyclopenten-1-one, 3-[4-(methylsulfonyl)phenyl]-2-(3-pyridinyl)-
CAS No: 190966-40-6 Catalog No: AG002EXP MDL No:
Product Description
Catalog Number:
AG002EXP
Chemical Name:
2-Cyclopenten-1-one, 3-[4-(methylsulfonyl)phenyl]-2-(3-pyridinyl)-
CAS Number:
190966-40-6
Molecular Formula:
C17H15NO3S
Molecular Weight:
313.3709
IUPAC Name:
3-(4-methylsulfonylphenyl)-2-pyridin-3-ylcyclopent-2-en-1-one
InChI:
InChI=1S/C17H15NO3S/c1-22(20,21)14-6-4-12(5-7-14)15-8-9-16(19)17(15)13-3-2-10-18-11-13/h2-7,10-11H,8-9H2,1H3
InChI Key:
PKMFIFDWBWWDIQ-UHFFFAOYSA-N
SMILES:
O=C1CCC(=C1c1cccnc1)c1ccc(cc1)S(=O)(=O)C
Properties
Complexity:
565
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
313.077g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
313.371g/mol
Monoisotopic Mass:
313.077g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
72.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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