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15121-44-5 | Pyridinium, 2-methoxy-1-methyl-
CAS No: 15121-44-5 Catalog No: AG001N67 MDL No:
Product Description
Catalog Number:
AG001N67
Chemical Name:
Pyridinium, 2-methoxy-1-methyl-
CAS Number:
15121-44-5
Molecular Formula:
C7H10NO+
Molecular Weight:
124.1604
IUPAC Name:
2-methoxy-1-methylpyridin-1-ium
InChI:
InChI=1S/C7H10NO/c1-8-6-4-3-5-7(8)9-2/h3-6H,1-2H3/q+1
InChI Key:
TWWQUFGDVHWLBQ-UHFFFAOYSA-N
SMILES:
COc1cccc[n+]1C
Properties
Complexity:
85
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
124.076g/mol
Formal Charge:
1
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
124.163g/mol
Monoisotopic Mass:
124.076g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
13.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
Literature
| Title | Journal |
|---|---|
| Surprisingly low aqueous acidity at the alpha-positions of pyridiniums and pyrimidinium: the role of solvation. | Organic letters 20080703 |
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