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86542-98-5 | Piperidin-4-yl(thiophen-2-yl)methanone
CAS No: 86542-98-5 Catalog No: AG004LVI MDL No:MFCD09807612
Product Description
Catalog Number:
AG004LVI
Chemical Name:
Piperidin-4-yl(thiophen-2-yl)methanone
CAS Number:
86542-98-5
Molecular Formula:
C10H13NOS
Molecular Weight:
195.2813
MDL Number:
MFCD09807612
IUPAC Name:
piperidin-4-yl(thiophen-2-yl)methanone
InChI:
InChI=1S/C10H13NOS/c12-10(9-2-1-7-13-9)8-3-5-11-6-4-8/h1-2,7-8,11H,3-6H2
InChI Key:
QBJGQECJNLNPLJ-UHFFFAOYSA-N
SMILES:
O=C(c1cccs1)C1CCNCC1
Properties
Complexity:
189
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
195.072g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
195.28g/mol
Monoisotopic Mass:
195.072g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
57.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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