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1247503-83-8 | Ethanone, 2-[3-(hydroxymethyl)-1-piperidinyl]-1-(2-thienyl)-
CAS No: 1247503-83-8 Catalog No: AG000MPD MDL No:
Product Description
Catalog Number:
AG000MPD
Chemical Name:
Ethanone, 2-[3-(hydroxymethyl)-1-piperidinyl]-1-(2-thienyl)-
CAS Number:
1247503-83-8
Molecular Formula:
C12H17NO2S
Molecular Weight:
239.3339
IUPAC Name:
2-[3-(hydroxymethyl)piperidin-1-yl]-1-thiophen-2-ylethanone
InChI:
InChI=1S/C12H17NO2S/c14-9-10-3-1-5-13(7-10)8-11(15)12-4-2-6-16-12/h2,4,6,10,14H,1,3,5,7-9H2
InChI Key:
USBTXMRWROETNS-UHFFFAOYSA-N
SMILES:
OCC1CCCN(C1)CC(=O)c1cccs1
Properties
Complexity:
247
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
239.098g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
239.333g/mol
Monoisotopic Mass:
239.098g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
68.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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