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138683-11-1 | Pyridinium, 1-ethoxy-4-methoxy-3,5-dimethyl-, iodide (1:1)
CAS No: 138683-11-1 Catalog No: AG00190N MDL No:
Product Description
Catalog Number:
AG00190N
Chemical Name:
Pyridinium, 1-ethoxy-4-methoxy-3,5-dimethyl-, iodide (1:1)
CAS Number:
138683-11-1
Molecular Formula:
C10H16INO2
Molecular Weight:
309.1440
IUPAC Name:
1-ethoxy-4-methoxy-3,5-dimethylpyridin-1-ium;iodide
InChI:
InChI=1S/C10H16NO2.HI/c1-5-13-11-6-8(2)10(12-4)9(3)7-11;/h6-7H,5H2,1-4H3;1H/q+1;/p-1
InChI Key:
GVGDDOYLJJHEHQ-UHFFFAOYSA-M
SMILES:
CCO[n+]1cc(C)c(c(c1)C)OC.[I-]
Properties
Complexity:
140
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
309.023g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
309.147g/mol
Monoisotopic Mass:
309.023g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
22.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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