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141945-71-3 | 4-Piperidinone, 1-(2-thienylcarbonyl)-
CAS No: 141945-71-3 Catalog No: AG001HFE MDL No:MFCD09939609
Product Description
Catalog Number:
AG001HFE
Chemical Name:
4-Piperidinone, 1-(2-thienylcarbonyl)-
CAS Number:
141945-71-3
Molecular Formula:
C10H11NO2S
Molecular Weight:
209.2648
MDL Number:
MFCD09939609
IUPAC Name:
1-(thiophene-2-carbonyl)piperidin-4-one
InChI:
InChI=1S/C10H11NO2S/c12-8-3-5-11(6-4-8)10(13)9-2-1-7-14-9/h1-2,7H,3-6H2
InChI Key:
REOJKSKCKNLFCW-UHFFFAOYSA-N
SMILES:
O=C1CCN(CC1)C(=O)c1cccs1
Properties
Complexity:
245
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
209.051g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
209.263g/mol
Monoisotopic Mass:
209.051g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
65.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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