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1246552-66-8 | 2-Piperazinecarboxylic acid, 6-oxo-
CAS No: 1246552-66-8 Catalog No: AG000MJ7 MDL No:
Product Description
Catalog Number:
AG000MJ7
Chemical Name:
2-Piperazinecarboxylic acid, 6-oxo-
CAS Number:
1246552-66-8
Molecular Formula:
C5H8N2O3
Molecular Weight:
144.1286
IUPAC Name:
6-oxopiperazine-2-carboxylic acid
InChI:
InChI=1S/C5H8N2O3/c8-4-2-6-1-3(7-4)5(9)10/h3,6H,1-2H2,(H,7,8)(H,9,10)
InChI Key:
YFTIUIRRLXUUIK-UHFFFAOYSA-N
SMILES:
O=C1CNCC(N1)C(=O)O
Properties
Complexity:
168
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
144.053g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
144.13g/mol
Monoisotopic Mass:
144.053g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
78.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
-3.7
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