Basic information
- CAS
60549-34-0- Standard SMILES
O=C1c2ccccc2C(=O)c2c1ccc1cccc(O)c21- InChIKey
DHPURTXUVUYZEO-UHFFFAOYSA-N- Molecular formula
- C18H10O3
- Average molar mass
- 274.3 g/mol
- Monoisotopic mass
- 274.06299418
Names & identifiers
- Preferred name
- Benz(a)anthracene-7,12-dione, 1-hydroxy-
- IUPAC
- 1-hydroxybenzo[a]anthracene-7,12-dione
Names & synonyms
Benz(a)anthracene-7,12-dione, 1-hydroxy-60549-34-01-hydroxytetraphene-7,12-dioneDTXSID10209300
Database identifiers
- CAS
60549-34-0- PubChem CID
- 190004
- DTXSID
DTXSID10209300
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 54.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 457
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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