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1041005-47-3 | (3-Oxo-1-pyridin-2-ylmethyl-piperazin-2-yl)-acetic acid
CAS No: 1041005-47-3 Catalog No: AG01FOFX MDL No:
Product Description
Catalog Number:
AG01FOFX
Chemical Name:
(3-Oxo-1-pyridin-2-ylmethyl-piperazin-2-yl)-acetic acid
CAS Number:
1041005-47-3
IUPAC Name:
2-[3-oxo-1-(pyridin-2-ylmethyl)piperazin-2-yl]acetic acid
InChI:
InChI=1S/C12H15N3O3/c16-11(17)7-10-12(18)14-5-6-15(10)8-9-3-1-2-4-13-9/h1-4,10H,5-8H2,(H,14,18)(H,16,17)
InChI Key:
KSJFPZXJBYGPBX-UHFFFAOYSA-N
Properties
Complexity:
322
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
249.111g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
249.27g/mol
Monoisotopic Mass:
249.111g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
82.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
-2.9
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