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179416-28-5 | 1-Piperazineacetic acid, 2,3-dioxo-, methyl ester
CAS No: 179416-28-5 Catalog No: AG002709 MDL No:
Product Description
Catalog Number:
AG002709
Chemical Name:
1-Piperazineacetic acid, 2,3-dioxo-, methyl ester
CAS Number:
179416-28-5
Molecular Formula:
C7H10N2O4
Molecular Weight:
186.1653
IUPAC Name:
methyl 2-(2,3-dioxopiperazin-1-yl)acetate
InChI:
InChI=1S/C7H10N2O4/c1-13-5(10)4-9-3-2-8-6(11)7(9)12/h2-4H2,1H3,(H,8,11)
InChI Key:
VJYQKCNSCKFYCO-UHFFFAOYSA-N
SMILES:
COC(=O)CN1CCNC(=O)C1=O
Properties
Complexity:
251
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
186.064g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
186.167g/mol
Monoisotopic Mass:
186.064g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
75.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.9
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