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156025-55-7 | 2-Piperazinecarboxylic acid, 5,6-dioxo-
CAS No: 156025-55-7 Catalog No: AG001OG2 MDL No:
Product Description
Catalog Number:
AG001OG2
Chemical Name:
2-Piperazinecarboxylic acid, 5,6-dioxo-
CAS Number:
156025-55-7
Molecular Formula:
C5H6N2O4
Molecular Weight:
158.1121
IUPAC Name:
5,6-dioxopiperazine-2-carboxylic acid
InChI:
InChI=1S/C5H6N2O4/c8-3-4(9)7-2(1-6-3)5(10)11/h2H,1H2,(H,6,8)(H,7,9)(H,10,11)
InChI Key:
LZUXNCPUPSCKNF-UHFFFAOYSA-N
SMILES:
OC(=O)C1CNC(=O)C(=O)N1
Properties
Complexity:
225
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
158.033g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
158.113g/mol
Monoisotopic Mass:
158.033g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
95.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.3
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