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88164-55-0 | 3-Pyrazolidinone, 1-(3-quinolinyl)-
CAS No: 88164-55-0 Catalog No: AG004DBK MDL No:
Product Description
Catalog Number:
AG004DBK
Chemical Name:
3-Pyrazolidinone, 1-(3-quinolinyl)-
CAS Number:
88164-55-0
Molecular Formula:
C12H11N3O
Molecular Weight:
213.2352
IUPAC Name:
1-quinolin-3-ylpyrazolidin-3-one
InChI:
InChI=1S/C12H11N3O/c16-12-5-6-15(14-12)10-7-9-3-1-2-4-11(9)13-8-10/h1-4,7-8H,5-6H2,(H,14,16)
InChI Key:
QNZORRWYDCGEJJ-UHFFFAOYSA-N
SMILES:
O=C1CCN(N1)c1cnc2c(c1)cccc2
Properties
Complexity:
281
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
213.09g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
213.24g/mol
Monoisotopic Mass:
213.09g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
45.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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