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878886-68-1 | Piperazinone, 1,4-bis(2-hydroxyphenyl)-
CAS No: 878886-68-1 Catalog No: AG004FX2 MDL No:
Product Description
Catalog Number:
AG004FX2
Chemical Name:
Piperazinone, 1,4-bis(2-hydroxyphenyl)-
CAS Number:
878886-68-1
Molecular Formula:
C16H16N2O3
Molecular Weight:
284.3098
IUPAC Name:
1,4-bis(2-hydroxyphenyl)piperazin-2-one
InChI:
InChI=1S/C16H16N2O3/c19-14-7-3-1-5-12(14)17-9-10-18(16(21)11-17)13-6-2-4-8-15(13)20/h1-8,19-20H,9-11H2
InChI Key:
BDFPOURVJCQQMU-UHFFFAOYSA-N
SMILES:
Oc1ccccc1N1CCN(C(=O)C1)c1ccccc1O
Properties
Complexity:
377
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
284.116g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
284.315g/mol
Monoisotopic Mass:
284.116g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
64A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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