1,3-Diethoxy-8-hydroxy-6-methyl-9,10-anthracenedione
Basic information
- CAS
69008-04-4- Standard SMILES
CCOc1cc(OCC)c2c(c1)C(=O)c1cc(C)cc(O)c1C2=O- InChIKey
OCXUALMTGBHVGB-UHFFFAOYSA-N- Molecular formula
- C19H18O5
- Average molar mass
- 326.3 g/mol
- Monoisotopic mass
- 326.11542367
Names & identifiers
- Preferred name
- 1,3-Diethoxy-8-hydroxy-6-methyl-9,10-anthracenedione
- IUPAC
- 1,3-diethoxy-8-hydroxy-6-methylanthracene-9,10-dione
Names & synonyms
1,3-Diethoxy-8-hydroxy-6-methyl-9,10-anthracenedioneDTXSID00121806269008-04-41,3-Diethoxy-8-hydroxy-6-methylanthracene-9,10-dione
Database identifiers
- CAS
69008-04-4- PubChem CID
- 12435243
- DTXSID
DTXSID001218062
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 72.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 490
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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