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Home > Aldehydes > 165824-59-9
165824-59-9 | 1-Piperazinecarboxaldehyde, 3,5-dioxo-
CAS No: 165824-59-9 Catalog No: AG007URO MDL No:MFCD01945387
Product Description
Catalog Number:
AG007URO
Chemical Name:
1-Piperazinecarboxaldehyde, 3,5-dioxo-
CAS Number:
165824-59-9
Molecular Formula:
C5H6N2O3
Molecular Weight:
142.1127
MDL Number:
MFCD01945387
IUPAC Name:
3,5-dioxopiperazine-1-carbaldehyde
InChI:
InChI=1S/C5H6N2O3/c8-3-7-1-4(9)6-5(10)2-7/h3H,1-2H2,(H,6,9,10)
InChI Key:
VQSWVIMFICQGKJ-UHFFFAOYSA-N
SMILES:
O=CN1CC(=O)NC(=O)C1
Properties
Complexity:
173
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
142.038g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
142.114g/mol
Monoisotopic Mass:
142.038g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
66.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.3
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