Basic information
- CAS
69960-30-1- Standard SMILES
CC(=O)CCc1cc(O)c2c(c1O)C(=O)c1ccccc1C2=O- InChIKey
WIRYNJASQBKFAN-UHFFFAOYSA-N- Molecular formula
- C18H14O5
- Average molar mass
- 310.3 g/mol
- Monoisotopic mass
- 310.08412354
Names & identifiers
- Preferred name
- 1,4-Dihydroxy-2-(3-oxobutyl)anthracene-9,10-dione
- IUPAC
- 1,4-dihydroxy-2-(3-oxobutyl)anthracene-9,10-dione
Names & synonyms
1,4-Dihydroxy-2-(3-oxobutyl)anthracene-9,10-dione69960-30-1DTXSID20500133RefChem:220571DTXCID80450943
Database identifiers
- CAS
69960-30-1- PubChem CID
- 12488554
- DTXSID
DTXSID20500133
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 91.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 514
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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