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178408-17-8

178408-17-8 | 2-Piperazinone, 3-[2-(2,4-dimethylphenyl)-2-oxoethylidene]-1-methyl-

CAS No: 178408-17-8 Catalog No: AG0025ZS MDL No:

Product Description

Catalog Number:
AG0025ZS
Chemical Name:
2-Piperazinone, 3-[2-(2,4-dimethylphenyl)-2-oxoethylidene]-1-methyl-
CAS Number:
178408-17-8
Molecular Formula:
C15H18N2O2
Molecular Weight:
258.3156
IUPAC Name:
3-[2-(2,4-dimethylphenyl)-2-oxoethylidene]-1-methylpiperazin-2-one
InChI:
InChI=1S/C15H18N2O2/c1-10-4-5-12(11(2)8-10)14(18)9-13-15(19)17(3)7-6-16-13/h4-5,8-9,16H,6-7H2,1-3H3
InChI Key:
UXFWUUUFWRUKNL-UHFFFAOYSA-N
SMILES:
Cc1ccc(c(c1)C)C(=O)C=C1NCCN(C1=O)C

Properties

Complexity:
403  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
258.137g/mol
Formal Charge:
0
Heavy Atom Count:
19  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
258.321g/mol
Monoisotopic Mass:
258.137g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
49.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1  
XLogP3:
2  

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