6-Isobutoxypicolinic acid
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Basic information
- CAS
1240620-33-0- Standard SMILES
CC(C)COc1cccc(C(=O)O)n1- InChIKey
SWMLTKZPHKSBPC-UHFFFAOYSA-N- Molecular formula
- C10H13NO3
- Average molar mass
- 195.21 g/mol
- Monoisotopic mass
- 195.08954328
Names & identifiers
- Preferred name
- 6-Isobutoxypicolinic acid
- IUPAC
- 6-(2-methylpropoxy)pyridine-2-carboxylic acid
- English name
- 6-Isobutoxypicolinic acid
- Molecular formula
- C10H13NO3
- Molecular weight
- 195.22
Names & synonyms
6-Isobutoxypicolinic acid1240620-33-06-(2-methylpropoxy)pyridine-2-carboxylic acidMFCD166977566-isobutoxypyridine-2-carboxylic acid6-IsobutoxypicolinicacidAKOS011538643KS-7983CS-0443079F0969056-(2-Methylpropoxy)-2-pyridinecarboxylic acid2-Pyridinecarboxylic acid, 6-(2-methylpropoxy)-
Database identifiers
- CAS
1240620-33-0- PubChem CID
- 50986572
Properties
Computed structural propertiesFilling in
- XLogP
- 2.3
- Topological polar surface area
- 59.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 194
Physicochemical properties
- Boiling point
- 326.9 · 326.9±22.0 °C(Predicted)
- Density
- 1.154 · 1.154±0.06 g/cm3(Predicted)
- pka
- 3.5 · 3.50±0.10(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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