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1251112-82-9 | Ethanone, 2-(3-hydroxy-1-piperidinyl)-1-(2-thienyl)-
CAS No: 1251112-82-9 Catalog No: AG000N7T MDL No:MFCD16165231
Product Description
Catalog Number:
AG000N7T
Chemical Name:
Ethanone, 2-(3-hydroxy-1-piperidinyl)-1-(2-thienyl)-
CAS Number:
1251112-82-9
Molecular Formula:
C11H15NO2S
Molecular Weight:
225.3073
MDL Number:
MFCD16165231
IUPAC Name:
2-(3-hydroxypiperidin-1-yl)-1-thiophen-2-ylethanone
InChI:
InChI=1S/C11H15NO2S/c13-9-3-1-5-12(7-9)8-10(14)11-4-2-6-15-11/h2,4,6,9,13H,1,3,5,7-8H2
InChI Key:
LGXOMUFXPRDTJX-UHFFFAOYSA-N
SMILES:
OC1CCCN(C1)CC(=O)c1cccs1
Properties
Complexity:
235
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
225.082g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
225.306g/mol
Monoisotopic Mass:
225.082g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
68.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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