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10129-59-6 | Pyridinium, 4-(ethoxycarbonyl)-1-methyl-, iodide (1:1)
CAS No: 10129-59-6 Catalog No: AG00045W MDL No:
Product Description
Catalog Number:
AG00045W
Chemical Name:
Pyridinium, 4-(ethoxycarbonyl)-1-methyl-, iodide (1:1)
CAS Number:
10129-59-6
Molecular Formula:
C9H12INO2
Molecular Weight:
293.1015
IUPAC Name:
ethyl 1-methylpyridin-1-ium-4-carboxylate;iodide
InChI:
InChI=1S/C9H12NO2.HI/c1-3-12-9(11)8-4-6-10(2)7-5-8;/h4-7H,3H2,1-2H3;1H/q+1;/p-1
InChI Key:
SFWONOUKADVLTA-UHFFFAOYSA-M
SMILES:
CCOC(=O)c1cc[n+](cc1)C.[I-]
NSC Number:
122471
Properties
Complexity:
151
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
292.991g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
293.104g/mol
Monoisotopic Mass:
292.991g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
30.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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