Methyl nicotinate 1-oxide
Basic information
- CAS
15905-18-7- Standard SMILES
COC(=O)c1ccc[n+]([O-])c1- InChIKey
RVBKAFFMAQAFGK-UHFFFAOYSA-N- Molecular formula
- C7H7NO3
- Average molar mass
- 153.14 g/mol
- Monoisotopic mass
- 153.04259309
Names & identifiers
- Preferred name
- Methyl nicotinate 1-oxide
- IUPAC
- methyl 1-oxidopyridin-1-ium-3-carboxylate
- English name
- Methyl nicotinate 1-oxide
- Molecular formula
- C7H7NO3
- Molecular weight
- 153.14
Names & synonyms
Methyl nicotinate 1-oxide15905-18-73-(Methoxycarbonyl)pyridine 1-oxideMethyl nicotinate N-oxidemethyl 1-oxidopyridin-1-ium-3-carboxylate1-Oxy-nicotinic acid methyl estermethyl 1-hydroxypyridine-3-carboxylate3-(METHOXYCARBONYL)PYRIDIN-1-IUM-1-OLATE3-Pyridinecarboxylicacid, methyl ester, 1-oxideSCHEMBL2818943SCHEMBL96262853-Methoxycarbonylpyridine-N-oxide
Show more names
RMA-577Einecs 240-045-51-Oxynicotinic acid methyl ester3-Methoxycarbonylpyridine N-oxide3-Pyridinecarboxylic acid, methyl ester, 1-oxide
3-Methoxycarbonylpyridine 1-oxide3-(Methoxycarbonyl)pyridine N-oxideMethyl 3-pyridinecarboxylate 1-oxideMFCD00128854SBB086899AKOS004896821methyl 1-oxo-1??-pyridine-3-carboxylateNS00055485
Database identifiers
- CAS
15905-18-7- PubChem CID
- 85180
- DTXSID
DTXSID601236228- EC Number
- 240-045-5
- Nikkaji
- J219.898C
Properties
Computed structural properties
- XLogP
- -0.3
- Topological polar surface area
- 51.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 149
Physicochemical properties
- Melting point
- 97 · 97-98 °C(Solv: ethyl acetate (141-78-6))
- Boiling point
- 340.5 · 340.5±15.0 °C(Predicted)
- Density
- 1.2 · 1.20±0.1 g/cm3(Predicted)
- pka
- -0.14 · -0.14±0.10(Predicted)
- Symbol(GHS)
- 8 · GHS08,GHS02
- Signal word
- Danger
- Hazard statements
- 304 · H304-H225
- Precautionary statements
- 501 · P501-P240-P210-P233-P243-P241-P242-P280-P370+P378-P331-P303+P361+P353-P301+P310-P403+P235-P405
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Danger
- Symbol(GHS)
- GHS08,GHS02
- Hazard statements
- H304-H225
- Precautionary statements
- P501-P240-P210-P233-P243-P241-P242-P280-P370+P378-P331-P303+P361+P353-P301+P310-P403+P235-P405
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…