7-Methylbenz(a)anthracene-3,4-dione
Basic information
- CAS
71989-02-1- Standard SMILES
Cc1c2ccccc2cc2c3c(ccc12)C(=O)C(=O)C=C3- InChIKey
XUEZVDKAGOWVDJ-UHFFFAOYSA-N- Molecular formula
- C19H12O2
- Average molar mass
- 272.3 g/mol
- Monoisotopic mass
- 272.08372962
Names & identifiers
- Preferred name
- 7-Methylbenz(a)anthracene-3,4-dione
- IUPAC
- 7-methylbenzo[a]anthracene-3,4-dione
Names & synonyms
7-Methylbenz(a)anthracene-3,4-dioneCCRIS 761771989-02-18WK3D8TQC77-methylbenzo[a]anthracene-3,4-dioneDTXSID202222677-METHYLBENZO(A)ANTHRACENE-3,4-DIONEBENZ(A)ANTHRACENE-3,4-DIONE, 7-METHYL-7-METHYLBENZ[A]ANTHRACENE-3,4-DIONERefChem:106366DTXCID20144758UNII-8WK3D8TQC7
Show more names
7-METHYLTETRAPHENE-3,4-DIONE
Database identifiers
- CAS
71989-02-1- PubChem CID
- 150674
- DTXSID
DTXSID20222267- UNII
- 8WK3D8TQC7
- Nikkaji
- J2.590.220C
Properties
Computed structural properties
- XLogP
- 4.4
- Topological polar surface area
- 34.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 492
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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