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Home > Pyridines > 698346-53-1
698346-53-1 | 5-oxo-5-(4-pyridin-2-ylpiperazin-1-yl)pentanoic acid
CAS No: 698346-53-1 Catalog No: AG00JD58 MDL No:MFCD02678164
Product Description
Catalog Number:
AG00JD58
Chemical Name:
5-oxo-5-(4-pyridin-2-ylpiperazin-1-yl)pentanoic acid
CAS Number:
698346-53-1
Molecular Formula:
C14H19N3O3
Molecular Weight:
277.3190
MDL Number:
MFCD02678164
IUPAC Name:
5-oxo-5-(4-pyridin-2-ylpiperazin-1-yl)pentanoic acid
InChI:
InChI=1S/C14H19N3O3/c18-13(5-3-6-14(19)20)17-10-8-16(9-11-17)12-4-1-2-7-15-12/h1-2,4,7H,3,5-6,8-11H2,(H,19,20)
InChI Key:
VWJSKYWONUUYBB-UHFFFAOYSA-N
SMILES:
OC(=O)CCCC(=O)N1CCN(CC1)c1ccccn1
Properties
Complexity:
341
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
277.143g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
277.324g/mol
Monoisotopic Mass:
277.143g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
73.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4
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