Basic information
- CAS
501-18-8- Standard SMILES
Cc1nc(CCCCCCCC(=O)O)ccc1O- InChIKey
XJGQLLRXSMNSRS-UHFFFAOYSA-N- Molecular formula
- C14H21NO3
- Average molar mass
- 251.32 g/mol
- Monoisotopic mass
- 251.15214353
Names & identifiers
- Preferred name
- 8-(5-Hydroxy-6-methylpyridin-2-yl)octanoic acid
- IUPAC
- 8-(5-hydroxy-6-methyl-2-pyridinyl)octanoic acid
Names & synonyms
5-Hydroxy-6-methyl-2-pyridineoctanoic acid8-(5-hydroxy-6-methylpyridin-2-yl)octanoic acidDTXSID101264870501-18-8
Database identifiers
- CAS
501-18-8- PubChem CID
- 428641
- DTXSID
DTXSID101264870
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 70.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 8
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 245
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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