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89508-16-7 | Piperazinone, 4-acetyl-6-hydroxy-1-[2-(2-thienyl)ethyl]-
CAS No: 89508-16-7 Catalog No: AG0041EL MDL No:
Product Description
Catalog Number:
AG0041EL
Chemical Name:
Piperazinone, 4-acetyl-6-hydroxy-1-[2-(2-thienyl)ethyl]-
CAS Number:
89508-16-7
Molecular Formula:
C12H16N2O3S
Molecular Weight:
268.3320
IUPAC Name:
4-acetyl-6-hydroxy-1-(2-thiophen-2-ylethyl)piperazin-2-one
InChI:
InChI=1S/C12H16N2O3S/c1-9(15)13-7-11(16)14(12(17)8-13)5-4-10-3-2-6-18-10/h2-3,6,11,16H,4-5,7-8H2,1H3
InChI Key:
CPMVAIUBFBKILO-UHFFFAOYSA-N
SMILES:
OC1CN(CC(=O)N1CCc1cccs1)C(=O)C
Properties
Complexity:
337
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
268.088g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
268.331g/mol
Monoisotopic Mass:
268.088g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
89.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.2
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