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1017038-74-2 | 1-(4-methyl-1,3-thiazol-2-yl)piperidin-4-one
CAS No: 1017038-74-2 Catalog No: AG019YXV MDL No:MFCD09950481
Product Description
Catalog Number:
AG019YXV
Chemical Name:
1-(4-methyl-1,3-thiazol-2-yl)piperidin-4-one
CAS Number:
1017038-74-2
Molecular Formula:
C9H12N2OS
Molecular Weight:
196.2694
MDL Number:
MFCD09950481
IUPAC Name:
1-(4-methyl-1,3-thiazol-2-yl)piperidin-4-one
InChI:
InChI=1S/C9H12N2OS/c1-7-6-13-9(10-7)11-4-2-8(12)3-5-11/h6H,2-5H2,1H3
InChI Key:
UPWQKQOOWMHNHK-UHFFFAOYSA-N
SMILES:
O=C1CCN(CC1)c1scc(n1)C
Properties
Complexity:
200
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
196.067g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
196.268g/mol
Monoisotopic Mass:
196.067g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
61.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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