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139052-78-1 | Pyridinium, 4-ethenyl-1-[2-(4-morpholinyl)-2-oxoethyl]-, chloride (1:1)
CAS No: 139052-78-1 Catalog No: AG001A2O MDL No:
Product Description
Catalog Number:
AG001A2O
Chemical Name:
Pyridinium, 4-ethenyl-1-[2-(4-morpholinyl)-2-oxoethyl]-, chloride (1:1)
CAS Number:
139052-78-1
Molecular Formula:
C13H17ClN2O2
Molecular Weight:
268.7393
IUPAC Name:
2-(4-ethenylpyridin-1-ium-1-yl)-1-morpholin-4-ylethanone;chloride
InChI:
InChI=1S/C13H17N2O2.ClH/c1-2-12-3-5-14(6-4-12)11-13(16)15-7-9-17-10-8-15;/h2-6H,1,7-11H2;1H/q+1;/p-1
InChI Key:
QTSSJJQUOGIECK-UHFFFAOYSA-M
SMILES:
C=Cc1cc[n+](cc1)CC(=O)N1CCOCC1.[Cl-]
Properties
Complexity:
267
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
268.098g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
268.741g/mol
Monoisotopic Mass:
268.098g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
33.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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