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15996-22-2 | 2,5-Piperazinedione, 3,6-bis(methylene)-
CAS No: 15996-22-2 Catalog No: AG001RJV MDL No:
Product Description
Catalog Number:
AG001RJV
Chemical Name:
2,5-Piperazinedione, 3,6-bis(methylene)-
CAS Number:
15996-22-2
Molecular Formula:
C6H6N2O2
Molecular Weight:
138.1240
IUPAC Name:
3,6-dimethylidenepiperazine-2,5-dione
InChI:
InChI=1S/C6H6N2O2/c1-3-5(9)8-4(2)6(10)7-3/h1-2H2,(H,7,10)(H,8,9)
InChI Key:
UKQPHICLKVWLEU-UHFFFAOYSA-N
SMILES:
C=c1[nH]c(=O)c(=C)[nH]c1=O
UNII:
5B198RDA6I
NSC Number:
278175
Properties
Complexity:
216
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
138.043g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
138.126g/mol
Monoisotopic Mass:
138.043g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
58.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0
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