2-Ethoxy-3,6-dihydroxy-5-methylcyclohexa-2,5-diene-1,4-dione
Basic information
- CAS
71376-44-8- Standard SMILES
CCOC1=C(O)C(=O)C(C)=C(O)C1=O- InChIKey
AOJBYBQOBCESPY-UHFFFAOYSA-N- Molecular formula
- C9H10O5
- Average molar mass
- 198.17 g/mol
- Monoisotopic mass
- 198.05282342
Names & identifiers
- Preferred name
- 2-Ethoxy-3,6-dihydroxy-5-methylcyclohexa-2,5-diene-1,4-dione
- IUPAC
- 2-ethoxy-3,6-dihydroxy-5-methylcyclohexa-2,5-diene-1,4-dione
Names & synonyms
71376-44-82-ethoxy-3,6-dihydroxy-5-methylcyclohexa-2,5-diene-1,4-dioneNSC276391DTXSID00313748NSC-276391
Database identifiers
- CAS
71376-44-8- PubChem CID
- 321892
- DTXSID
DTXSID00313748
Properties
Computed structural properties
- XLogP
- 0.7
- Topological polar surface area
- 83.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 361
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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