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127510-13-8 | 1-Piperazineacetic acid, 3,5-dioxo-
CAS No: 127510-13-8 Catalog No: AG000X4J MDL No:
Product Description
Catalog Number:
AG000X4J
Chemical Name:
1-Piperazineacetic acid, 3,5-dioxo-
CAS Number:
127510-13-8
Molecular Formula:
C6H8N2O4
Molecular Weight:
172.1387
IUPAC Name:
2-(3,5-dioxopiperazin-1-yl)acetic acid
InChI:
InChI=1S/C6H8N2O4/c9-4-1-8(3-6(11)12)2-5(10)7-4/h1-3H2,(H,11,12)(H,7,9,10)
InChI Key:
FKJYBACGKOHVIN-UHFFFAOYSA-N
SMILES:
OC(=O)CN1CC(=O)NC(=O)C1
Properties
Complexity:
222
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
172.048g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
172.14g/mol
Monoisotopic Mass:
172.048g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
86.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-3.5
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