5-Methoxy-2,3,5,6,7,8,8a,10a-octahydroanthracene-1,4,9,10-tetrone
Basic information
- CAS
59326-07-7- Standard SMILES
COC1CCCC2C(=O)C3=C(C(=O)CCC3=O)C(=O)C12- InChIKey
GYNVQGPZOAOXOT-UHFFFAOYSA-N- Molecular formula
- C15H16O5
- Average molar mass
- 276.28 g/mol
- Monoisotopic mass
- 276.09977361
Names & identifiers
- Preferred name
- 5-Methoxy-2,3,5,6,7,8,8a,10a-octahydroanthracene-1,4,9,10-tetrone
- IUPAC
- 5-methoxy-2,3,5,6,7,8,8a,10a-octahydroanthracene-1,4,9,10-tetrone
Names & synonyms
59326-07-75-methoxy-2,3,5,6,7,8,8a,10a-octahydroanthracene-1,4,9,10-tetroneDTXSID90787176
Database identifiers
- CAS
59326-07-7- PubChem CID
- 71363662
- DTXSID
DTXSID90787176
Properties
Computed structural properties
- XLogP
- 0.1
- Topological polar surface area
- 77.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 1
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 557
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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