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286838-85-5 | 2,5-Piperazinedione, 3-methyl-6-(2-methylpropylidene)-, (6Z)-
CAS No: 286838-85-5 Catalog No: AG002W26 MDL No:
Product Description
Catalog Number:
AG002W26
Chemical Name:
2,5-Piperazinedione, 3-methyl-6-(2-methylpropylidene)-, (6Z)-
CAS Number:
286838-85-5
Molecular Formula:
C9H14N2O2
Molecular Weight:
182.2197
IUPAC Name:
3-methyl-6-(2-methylpropylidene)piperazine-2,5-dione
InChI:
InChI=1S/C9H14N2O2/c1-5(2)4-7-9(13)10-6(3)8(12)11-7/h4-6H,1-3H3,(H,10,13)(H,11,12)
InChI Key:
CMAZZORFNVWTEF-UHFFFAOYSA-N
SMILES:
CC(/C=C/1\NC(=O)C(NC1=O)C)C
Properties
Complexity:
269
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
182.106g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
182.223g/mol
Monoisotopic Mass:
182.106g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
58.2A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
1
XLogP3:
0.7
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