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122556-80-3 | 2-Piperazineacetic acid, 4-hydroxy-3,6-dioxo-, (S)- (9CI)
CAS No: 122556-80-3 Catalog No: AG0017GR MDL No:
Product Description
Catalog Number:
AG0017GR
Chemical Name:
2-Piperazineacetic acid, 4-hydroxy-3,6-dioxo-, (S)- (9CI)
CAS Number:
122556-80-3
Molecular Formula:
C6H8N2O5
Molecular Weight:
188.1381
IUPAC Name:
2-[(2S)-4-hydroxy-3,6-dioxopiperazin-2-yl]acetic acid
InChI:
InChI=1S/C6H8N2O5/c9-4-2-8(13)6(12)3(7-4)1-5(10)11/h3,13H,1-2H2,(H,7,9)(H,10,11)/t3-/m0/s1
InChI Key:
KQGOKNMAASPNHX-VKHMYHEASA-N
SMILES:
OC(=O)C[C@@H]1NC(=O)CN(C1=O)O
Properties
Complexity:
264
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
188.043g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
188.139g/mol
Monoisotopic Mass:
188.043g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
107A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-2.1
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