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1199-65-1 | Pyridinium, 1-ethyl-4-(methoxycarbonyl)-, iodide (1:1)
CAS No: 1199-65-1 Catalog No: AG000PUP MDL No:MFCD00011996
Product Description
Catalog Number:
AG000PUP
Chemical Name:
Pyridinium, 1-ethyl-4-(methoxycarbonyl)-, iodide (1:1)
CAS Number:
1199-65-1
Molecular Formula:
C9H12INO2
Molecular Weight:
293.1016
MDL Number:
MFCD00011996
IUPAC Name:
methyl 1-ethylpyridin-1-ium-4-carboxylate;iodide
InChI:
InChI=1S/C9H12NO2.HI/c1-3-10-6-4-8(5-7-10)9(11)12-2;/h4-7H,3H2,1-2H3;1H/q+1;/p-1
InChI Key:
NGEAJXXGUZQCPN-UHFFFAOYSA-M
SMILES:
COC(=O)c1cc[n+](cc1)CC.[I-]
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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