Basic information
- CAS
830319-99-8- Standard SMILES
COc1cccc(OC)c1O.O=C1C=CC(=O)C=C1- InChIKey
YXTCLTWHTWSDMK-UHFFFAOYSA-N- Molecular formula
- C14H14O5
- Average molar mass
- 262.26 g/mol
- Monoisotopic mass
- 262.08412354
Names & identifiers
- Preferred name
- Cyclohexa-2,5-diene-1,4-dione;2,6-dimethoxyphenol
- IUPAC
- cyclohexa-2,5-diene-1,4-dione;2,6-dimethoxyphenol
Names & synonyms
830319-99-8DTXSID00836008Cyclohexa-2,5-diene-1,4-dione--2,6-dimethoxyphenol (1/1)
Database identifiers
- CAS
830319-99-8- PubChem CID
- 71416632
- DTXSID
DTXSID00836008
Properties
Computed structural properties
- Topological polar surface area
- 72.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 253
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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