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317377-34-7 | 1-[2-oxo-2-(3-oxopyrazolidin-1-yl)ethyl]pyridin-1-ium chloride
CAS No: 317377-34-7 Catalog No: AG00INVR MDL No:MFCD00138176
Product Description
Catalog Number:
AG00INVR
Chemical Name:
1-[2-oxo-2-(3-oxopyrazolidin-1-yl)ethyl]pyridin-1-ium chloride
CAS Number:
317377-34-7
Molecular Formula:
C10H12ClN3O2
Molecular Weight:
241.6742
MDL Number:
MFCD00138176
IUPAC Name:
1-(2-pyridin-1-ium-1-ylacetyl)pyrazolidin-3-one;chloride
InChI:
InChI=1S/C10H11N3O2.ClH/c14-9-4-7-13(11-9)10(15)8-12-5-2-1-3-6-12;/h1-3,5-6H,4,7-8H2;1H
InChI Key:
ZSQPAWLXDFJJCV-UHFFFAOYSA-N
SMILES:
O=C(N1CCC(=O)N1)C[n+]1ccccc1.[Cl-]
Properties
Complexity:
261
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
241.062g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
241.675g/mol
Monoisotopic Mass:
241.062g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
53.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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