Basic information
- CAS
89942-78-9- Standard SMILES
Cc1ncc(O)c(C(=O)O)c1C(=O)O- InChIKey
DOQJPOZAYXTGKA-UHFFFAOYSA-N- Molecular formula
- C8H7NO5
- Average molar mass
- 197.14 g/mol
- Monoisotopic mass
- 197.03242232
Names & identifiers
- Preferred name
- 5-Hydroxy-2-methylpyridine-3,4-dicarboxylic acid
- IUPAC
- 5-hydroxy-2-methylpyridine-3,4-dicarboxylic acid
Names & synonyms
89942-78-9NSC 3827925-hydroxy-2-methylpyridine-3,4-dicarboxylic acidNSC382792DTXSID80321881NSC-382792DS-0057285-hydroxy-2-methyl-pyridine-3,4-dicarboxylic acid
Database identifiers
- CAS
89942-78-9- PubChem CID
- 343371
- DTXSID
DTXSID80321881
Properties
Computed structural properties
- XLogP
- 0.5
- Topological polar surface area
- 108 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 2
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 254
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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