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178408-16-7 | 2-Piperazinone, 1-methyl-3-[2-(4-methylphenyl)-2-oxoethylidene]-
CAS No: 178408-16-7 Catalog No: AG0025ZT MDL No:
Product Description
Catalog Number:
AG0025ZT
Chemical Name:
2-Piperazinone, 1-methyl-3-[2-(4-methylphenyl)-2-oxoethylidene]-
CAS Number:
178408-16-7
Molecular Formula:
C14H16N2O2
Molecular Weight:
244.2890
IUPAC Name:
(3Z)-1-methyl-3-[2-(4-methylphenyl)-2-oxoethylidene]piperazin-2-one
InChI:
InChI=1S/C14H16N2O2/c1-10-3-5-11(6-4-10)13(17)9-12-14(18)16(2)8-7-15-12/h3-6,9,15H,7-8H2,1-2H3/b12-9-
InChI Key:
KSTKBIKZMQMAMQ-XFXZXTDPSA-N
SMILES:
Cc1ccc(cc1)C(=O)C=C1NCCN(C1=O)C
Properties
Complexity:
368
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
244.121g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
244.294g/mol
Monoisotopic Mass:
244.121g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
49.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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