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Home > Pyridines > 1551867-04-9
1551867-04-9 | 3-(pyrrolidin-1-ylsulfonyl)pyridin-2(1H)-one
CAS No: 1551867-04-9 Catalog No: AG00HYBA MDL No:MFCD23696726
Product Description
Catalog Number:
AG00HYBA
Chemical Name:
3-(pyrrolidin-1-ylsulfonyl)pyridin-2(1H)-one
CAS Number:
1551867-04-9
Molecular Formula:
C9H12N2O3S
Molecular Weight:
228.2682
MDL Number:
MFCD23696726
IUPAC Name:
3-pyrrolidin-1-ylsulfonyl-1H-pyridin-2-one
InChI:
InChI=1S/C9H12N2O3S/c12-9-8(4-3-5-10-9)15(13,14)11-6-1-2-7-11/h3-5H,1-2,6-7H2,(H,10,12)
InChI Key:
UQYVSIKKARDWMP-UHFFFAOYSA-N
SMILES:
O=c1[nH]cccc1S(=O)(=O)N1CCCC1
Properties
Complexity:
425
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
228.057g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
228.266g/mol
Monoisotopic Mass:
228.057g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
74.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.1
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