6-(4-Methoxyphenyl)-2-methylpyridine-3-carboxylic acid
Basic information
- CAS
912617-78-8- Standard SMILES
COc1ccc(-c2ccc(C(=O)O)c(C)n2)cc1- InChIKey
OXHDNOVGUIWOET-UHFFFAOYSA-N- Molecular formula
- C14H13NO3
- Average molar mass
- 243.26 g/mol
- Monoisotopic mass
- 243.08954328
Names & identifiers
- Preferred name
- 6-(4-Methoxyphenyl)-2-methylpyridine-3-carboxylic acid
- IUPAC
- 6-(4-methoxyphenyl)-2-methylpyridine-3-carboxylic acid
- English name
- 6-(4-Methoxy-phenyl)-2-methyl-nicotinic acid
- Molecular formula
- C14H13NO3
- Molecular weight
- 243.26
Names & synonyms
912617-78-86-(4-METHOXYPHENYL)-2-METHYLPYRIDINE-3-CARBOXYLIC ACID6-(4-methoxyphenyl)-2-methylnicotinic acidMFCD084466286-(4-Methoxyphenyl)-2-methyl-3-pyridinecarboxylic acidDTXSID601209312AKOS0002770966-(4-methoxyphenyl)-2-methyl-pyridine-3-carboxylic acid3-Pyridinecarboxylic acid, 6-(4-methoxyphenyl)-2-methyl-6-(4-Methoxy-phenyl)-2-methyl-nicotinic acid
Database identifiers
- CAS
912617-78-8- PubChem CID
- 16637679
- DTXSID
DTXSID601209312- EC Number
- 143-628-1
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 59.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 287
Physicochemical properties
- Boiling point
- 406.8 · 406.8±45.0 °C(Predicted)
- Density
- 1.211 · 1.211±0.06 g/cm3(Predicted)
- pka
- 2.06 · 2.06±0.25(Predicted)
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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