5-hydroxy-4-methoxy-1-methyl-3H-pyridine-2,6-dione
Basic information
- CAS
92446-30-5- Standard SMILES
COC1=C(O)C(=O)N(C)C(=O)C1- InChIKey
JFMQRHZXDOZVMO-UHFFFAOYSA-N- Molecular formula
- C7H9NO4
- Average molar mass
- 171.15 g/mol
- Monoisotopic mass
- 171.05315777
Names & identifiers
- Preferred name
- 5-hydroxy-4-methoxy-1-methyl-3H-pyridine-2,6-dione
- IUPAC
- 5-hydroxy-4-methoxy-1-methyl-3H-pyridine-2,6-dione
Names & synonyms
92446-30-5HermidinHermadineNSC3637375-hydroxy-4-methoxy-1-methyl-3H-pyridine-2,6-dione5-Hydroxy-4-methoxy-1-methylpyridine-2,6(1H,3H)-dioneDTXSID50320700NSC-363737NS00094729
Database identifiers
- CAS
92446-30-5- PubChem CID
- 338913
- DTXSID
DTXSID50320700- Nikkaji
- J2.368.291E
Properties
Computed structural properties
- XLogP
- -0.7
- Topological polar surface area
- 66.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 269
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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