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166312-57-8 | 1,2-Ethanedione, 1-phenyl-2-(1-piperazinyl)-
CAS No: 166312-57-8 Catalog No: AG001WN4 MDL No:
Product Description
Catalog Number:
AG001WN4
Chemical Name:
1,2-Ethanedione, 1-phenyl-2-(1-piperazinyl)-
CAS Number:
166312-57-8
Molecular Formula:
C12H14N2O2
Molecular Weight:
218.2518
IUPAC Name:
1-phenyl-2-piperazin-1-ylethane-1,2-dione
InChI:
InChI=1S/C12H14N2O2/c15-11(10-4-2-1-3-5-10)12(16)14-8-6-13-7-9-14/h1-5,13H,6-9H2
InChI Key:
IJDDAFIQLLXLBW-UHFFFAOYSA-N
SMILES:
O=C(C(=O)N1CCNCC1)c1ccccc1
Properties
Complexity:
266
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
218.106g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
218.256g/mol
Monoisotopic Mass:
218.106g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
49.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6
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