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Home > Pyridines > 166953-18-0
166953-18-0 | 2-Piperazinone, 4-(4-pyridinyl)-
CAS No: 166953-18-0 Catalog No: AG001X1Y MDL No:
Product Description
Catalog Number:
AG001X1Y
Chemical Name:
2-Piperazinone, 4-(4-pyridinyl)-
CAS Number:
166953-18-0
Molecular Formula:
C9H11N3O
Molecular Weight:
177.2031
IUPAC Name:
4-pyridin-4-ylpiperazin-2-one
InChI:
InChI=1S/C9H11N3O/c13-9-7-12(6-5-11-9)8-1-3-10-4-2-8/h1-4H,5-7H2,(H,11,13)
InChI Key:
WCDFJPZJXVQWQQ-UHFFFAOYSA-N
SMILES:
O=C1NCCN(C1)c1ccncc1
Properties
Complexity:
189
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
177.09g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
177.207g/mol
Monoisotopic Mass:
177.09g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
45.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.1
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