Mls003171086
Basic information
- CAS
40899-41-0- Standard SMILES
COC(=O)c1c[n+]([O-])ccc1OC- InChIKey
RGSKCQUFHPAMIE-UHFFFAOYSA-N- Molecular formula
- C8H9NO4
- Average molar mass
- 183.16 g/mol
- Monoisotopic mass
- 183.05315777
Names & identifiers
- Preferred name
- Mls003171086
- IUPAC
- methyl 4-methoxy-1-oxidopyridin-1-ium-3-carboxylate
Names & synonyms
MLS00317108640899-41-0DTXSID70319818RefChem:357343DTXCID80270941NSC351110methyl 4-methoxy-1-oxido-pyridine-3-carboxylateCHEMBL2361309AKOS004900575NSC-351110SMR001874995methyl 4-methoxy-3-pyridinecarboxylate-1-oxide
Show more names
Methyl 4-methoxy-1-oxo-1lambda~5~-pyridine-3-carboxylate
Database identifiers
- CAS
40899-41-0- PubChem CID
- 336486
- DTXSID
DTXSID70319818- ChEMBL
CHEMBL2361309
Properties
Computed structural properties
- XLogP
- -0.3
- Topological polar surface area
- 61 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 185
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Related reactions
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Compound notes
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