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103040-88-6 | 2,6-Piperazinedione,3-phenyl-
CAS No: 103040-88-6 Catalog No: AG007I3N MDL No:
Product Description
Catalog Number:
AG007I3N
Chemical Name:
2,6-Piperazinedione,3-phenyl-
CAS Number:
103040-88-6
Molecular Formula:
C10H10N2O2
Molecular Weight:
190.1986
IUPAC Name:
3-phenylpiperazine-2,6-dione
InChI:
InChI=1S/C10H10N2O2/c13-8-6-11-9(10(14)12-8)7-4-2-1-3-5-7/h1-5,9,11H,6H2,(H,12,13,14)
InChI Key:
AMCLXHFIGQCSDQ-UHFFFAOYSA-N
SMILES:
O=C1NC(=O)CNC1c1ccccc1
Properties
Complexity:
247
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
190.074g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
190.202g/mol
Monoisotopic Mass:
190.074g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
58.2A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4
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