Basic information
- CAS
18508-00-4- Standard SMILES
O=C1C(=O)c2cc3ccccc3cc2-c2ccccc21- InChIKey
MDPPNAKFMQPTFF-UHFFFAOYSA-N- Molecular formula
- C18H10O2
- Average molar mass
- 258.3 g/mol
- Monoisotopic mass
- 258.06807956
Names & identifiers
- Preferred name
- Benz(A)anthracene-5,6-dione
- IUPAC
- benzo[a]anthracene-5,6-dione
Names & synonyms
18508-00-4BENZ(A)ANTHRACENE-5,6-DIONE2NC1XEJ6RTBenz[a]anthracene-5,6-dioneNSC-171732Benz(alpha)anthracene-5,6-dioneNSC 171732UNII-2NC1XEJ6RTTETRAPHENE-5,6-DIONESCHEMBL2198881DTXSID10171710O-BENZ(A)ANTHRACENEQUINONE
Show more names
NSC1717325,6-BENZ(A)ANTHRACENEQUINONE1,2-BENZO-3,4-ANTHRAQUINONEBENZ(A)ANTHRACENE-5,6-QUINONE
Database identifiers
- CAS
18508-00-4- PubChem CID
- 29113
- DTXSID
DTXSID10171710- UNII
- 2NC1XEJ6RT
- Nikkaji
- J1.557.289B
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 34.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 427
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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