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155527-36-9 | 2,5-Piperazinedione, 3-pentylidene-
CAS No: 155527-36-9 Catalog No: AG001NZ5 MDL No:
Product Description
Catalog Number:
AG001NZ5
Chemical Name:
2,5-Piperazinedione, 3-pentylidene-
CAS Number:
155527-36-9
Molecular Formula:
C9H14N2O2
Molecular Weight:
182.2197
IUPAC Name:
3-pentylidenepiperazine-2,5-dione
InChI:
InChI=1S/C9H14N2O2/c1-2-3-4-5-7-9(13)10-6-8(12)11-7/h5H,2-4,6H2,1H3,(H,10,13)(H,11,12)
InChI Key:
AIEFJVCQQUSBJV-UHFFFAOYSA-N
SMILES:
CCCCC=C1NC(=O)CNC1=O
Properties
Complexity:
246
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:
3
Topological Polar Surface Area:
58.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
1.1
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