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178408-18-9 | 2-Piperazinone, 3-[2-(4-methoxyphenyl)-2-oxoethylidene]-1-methyl-
CAS No: 178408-18-9 Catalog No: AG00260Y MDL No:
Product Description
Catalog Number:
AG00260Y
Chemical Name:
2-Piperazinone, 3-[2-(4-methoxyphenyl)-2-oxoethylidene]-1-methyl-
CAS Number:
178408-18-9
Molecular Formula:
C14H16N2O3
Molecular Weight:
260.2884
IUPAC Name:
3-[2-(4-methoxyphenyl)-2-oxoethylidene]-1-methylpiperazin-2-one
InChI:
InChI=1S/C14H16N2O3/c1-16-8-7-15-12(14(16)18)9-13(17)10-3-5-11(19-2)6-4-10/h3-6,9,15H,7-8H2,1-2H3
InChI Key:
PIQICVQHLFPMGK-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)C(=O)C=C1NCCN(C1=O)C
Properties
Complexity:
384
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
260.116g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
260.293g/mol
Monoisotopic Mass:
260.116g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
58.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
1.2
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