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1170171-95-5 | 4-{[2,3-Dioxo-4-(pyridin-2-ylmethyl)piperazin-1-yl]methyl}benzoic acid
CAS No: 1170171-95-5 Catalog No: AG01EGZE MDL No:
Product Description
Catalog Number:
AG01EGZE
Chemical Name:
4-{[2,3-Dioxo-4-(pyridin-2-ylmethyl)piperazin-1-yl]methyl}benzoic acid
CAS Number:
1170171-95-5
IUPAC Name:
4-[[2,3-dioxo-4-(pyridin-2-ylmethyl)piperazin-1-yl]methyl]benzoic acid
InChI:
InChI=1S/C18H17N3O4/c22-16-17(23)21(12-15-3-1-2-8-19-15)10-9-20(16)11-13-4-6-14(7-5-13)18(24)25/h1-8H,9-12H2,(H,24,25)
InChI Key:
OKBNETPCFGFSEU-UHFFFAOYSA-N
Properties
Complexity:
517
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
339.122g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
339.351g/mol
Monoisotopic Mass:
339.122g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
90.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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