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129401-88-3 | 2-Propen-1-one, 1-(4-phenyl-1-piperazinyl)-
CAS No: 129401-88-3 Catalog No: AG000Z4D MDL No:
Product Description
Catalog Number:
AG000Z4D
Chemical Name:
2-Propen-1-one, 1-(4-phenyl-1-piperazinyl)-
CAS Number:
129401-88-3
Molecular Formula:
C13H16N2O
Molecular Weight:
216.2789
IUPAC Name:
1-(4-phenylpiperazin-1-yl)prop-2-en-1-one
InChI:
InChI=1S/C13H16N2O/c1-2-13(16)15-10-8-14(9-11-15)12-6-4-3-5-7-12/h2-7H,1,8-11H2
InChI Key:
RHLXKNKGQYNPCQ-UHFFFAOYSA-N
SMILES:
C=CC(=O)N1CCN(CC1)c1ccccc1
Properties
Complexity:
251
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
216.126g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
216.284g/mol
Monoisotopic Mass:
216.126g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
23.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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