| CAS Number | 26883-29-4 |
| Catalog Number | AG00I533(AGN-PC-0WRAEC) |
| Chemical Name | Methyl 3-methyl-1-oxidopyridin-4-yl ether |
| IUPAC Name | 4-methoxy-3-methyl-1-oxidopyridin-1-ium |
| InChI | InChI=1S/C7H9NO2/c1-6-5-8(9)4-3-7(6)10-2/h3-5H,1-2H3 |
| InChI Key | BTHHSVRNEVRRCX-UHFFFAOYSA-N |
| MDL Number | MFCD00234344 |
| Molecular Formula | C7H9NO2 |
| Molecular Weight | 139.1519 |
| SMILES | COC1=C(C)C=[N+]([O-])C=C1 |
| Synonyms | methyl 3-methyl-1-oxidopyridin-4-yl ether,
26883-29-4,
4-methoxy-3-methylpyridin-1-ium-1-olate,
AC1LG8Q0,
SCHEMBL3562505,
4-methoxy-3-methylpyridin-1-ol,
CTK6J9653,
BTHHSVRNEVRRCX-UHFFFAOYSA-N,
ZINC331028,
KS-000030KS,
3-methyl-4-methoxy pyridine N-oxide,
MFCD00234344,
SBB086066,
4-methoxy-3-methyl-1-pyridiniumolate,
AKOS006281915,
12E-326S,
4-methoxy-3-methyl-1-oxidopyridin-1-ium,
FT-0748113,
K-6893,
CID817250,
ZINC00331028,
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| Complexity | 108 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 139.063g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 139.154g/mol |
| Monoisotopic Mass | 139.063g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 34.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.2 |
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Certificate of Analysis
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