3-piperazin-1-ylbenzoic acid;dihydrochloride


Chemical Name: 3-piperazin-1-ylbenzoic acid;dihydrochloride
CAS Number: 1187931-15-2
Product Number: AG008XEZ(AGN-PC-0782MX)
Synonyms:
MDL No:
Molecular Formula: C11H16Cl2N2O2
Molecular Weight: 279.16294

Identification/Properties


Computed Properties
Molecular Weight:
279.161g/mol
Hydrogen Bond Donor Count:
4
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
2
Exact Mass:
278.059g/mol
Monoisotopic Mass:
278.059g/mol
Topological Polar Surface Area:
52.6A^2
Heavy Atom Count:
17
Formal Charge:
0
Complexity:
227
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
3
Compound Is Canonicalized:
Yes

Safety Information


NMR Spectrum


Other Analytical Data


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