2-(3-Hydroxypyridin-1-ium-1-yl)butanoic acid
Basic information
- CAS
139693-82-6- Standard SMILES
CCC(C(=O)O)[n+]1cccc(O)c1- InChIKey
COKWHEHEXGECHT-UHFFFAOYSA-O- Molecular formula
- C9H12NO3+
- Average molar mass
- 182.2 g/mol
- Monoisotopic mass
- 182.08171824
Names & identifiers
- Preferred name
- 2-(3-Hydroxypyridin-1-ium-1-yl)butanoic acid
- IUPAC
- 2-(3-hydroxypyridin-1-ium-1-yl)butanoic acid
Names & synonyms
139693-82-62-(3-hydroxypyridin-1-ium-1-yl)butanoic acidDTXSID609305561-(1-Carboxypropyl)-3-hydroxypyridin-1-ium
Database identifiers
- CAS
139693-82-6- PubChem CID
- 178551
- DTXSID
DTXSID60930556- Nikkaji
- J438.578K
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 61.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 13
- Formal charge
- 1
- Complexity
- 184
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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