Basic information
- CAS
74553-57-4- Standard SMILES
O=C1C=CC(=O)c2c1cc1ccccc1c2O- InChIKey
WRNLLFFUMFNHNF-UHFFFAOYSA-N- Molecular formula
- C14H8O3
- Average molar mass
- 224.21 g/mol
- Monoisotopic mass
- 224.04734411
Names & identifiers
- Preferred name
- 9-Hydroxyanthracene-1,4-dione
- IUPAC
- 9-hydroxyanthracene-1,4-dione
Names & synonyms
CHEMBL221001NSC-61820174553-57-49-hydroxyanthracene-1,4-dione9-Hydroxy-1,4-anthraquinoneNSC618201SCHEMBL14567096DTXSID80326836BDBM50195856NCI60_005459
Database identifiers
- CAS
74553-57-4- PubChem CID
- 358258
- DTXSID
DTXSID80326836- ChEMBL
CHEMBL221001- Nikkaji
- J1.739.376F
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 54.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 385
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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