Benz(a)anthracene, 5-methoxy-7,12-dimethyl-
Basic information
- CAS
53306-03-9- Standard SMILES
COc1cc2c(C)c3ccccc3c(C)c2c2ccccc12- InChIKey
YMZXUGHFUTUQFS-UHFFFAOYSA-N- Molecular formula
- C21H18O
- Average molar mass
- 286.4 g/mol
- Monoisotopic mass
- 286.13576519
Names & identifiers
- Preferred name
- Benz(a)anthracene, 5-methoxy-7,12-dimethyl-
- IUPAC
- 5-methoxy-7,12-dimethylbenzo[a]anthracene
Names & synonyms
Benz(a)anthracene, 5-methoxy-7,12-dimethyl-53306-03-910EA78HTP3NSC-2541425-Methoxy-7,12-dimethylbenz(a)anthraceneNSC254142NSC 254142UNII-10EA78HTP3DTXSID602014555-Methoxy-7,12-dimethyltetrapheneDS-006446
Database identifiers
- CAS
53306-03-9- PubChem CID
- 99635
- DTXSID
DTXSID60201455- UNII
- 10EA78HTP3
Properties
Computed structural properties
- XLogP
- 6.4
- Topological polar surface area
- 9.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 391
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Compound notes
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