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88519-11-3 | 2,6-Piperazinedione,4-(cyclopropylcarbonyl)-
CAS No: 88519-11-3 Catalog No: AG0048TK MDL No:
Product Description
Catalog Number:
AG0048TK
Chemical Name:
2,6-Piperazinedione,4-(cyclopropylcarbonyl)-
CAS Number:
88519-11-3
Molecular Formula:
C8H10N2O3
Molecular Weight:
182.1766
IUPAC Name:
4-(cyclopropanecarbonyl)piperazine-2,6-dione
InChI:
InChI=1S/C8H10N2O3/c11-6-3-10(4-7(12)9-6)8(13)5-1-2-5/h5H,1-4H2,(H,9,11,12)
InChI Key:
NKCOFBROIWHJRN-UHFFFAOYSA-N
SMILES:
O=C(C1CC1)N1CC(=O)NC(=O)C1
Properties
Complexity:
267
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
182.069g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
182.179g/mol
Monoisotopic Mass:
182.069g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
66.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.9
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