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Home > Pyridines > 149435-17-6
149435-17-6 | Pyridinium, 1-(4-ethoxy-2,4-dioxobutyl)-, chloride (1:1)
CAS No: 149435-17-6 Catalog No: AG001LPM MDL No:
Product Description
Catalog Number:
AG001LPM
Chemical Name:
Pyridinium, 1-(4-ethoxy-2,4-dioxobutyl)-, chloride (1:1)
CAS Number:
149435-17-6
Molecular Formula:
C11H14ClNO3
Molecular Weight:
243.6868
IUPAC Name:
ethyl 3-oxo-4-pyridin-1-ium-1-ylbutanoate;chloride
InChI:
InChI=1S/C11H14NO3.ClH/c1-2-15-11(14)8-10(13)9-12-6-4-3-5-7-12;/h3-7H,2,8-9H2,1H3;1H/q+1;/p-1
InChI Key:
WPBOLTDWHRTHAO-UHFFFAOYSA-M
SMILES:
CCOC(=O)CC(=O)C[n+]1ccccc1.[Cl-]
Properties
Complexity:
222
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
243.066g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
243.687g/mol
Monoisotopic Mass:
243.066g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
47.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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