3,9-Dihydroxy-7,12-dimethylbenz(a)anthracene
Basic information
- CAS
67448-92-4- Standard SMILES
Cc1c2cc(O)ccc2c(C)c2c1ccc1cc(O)ccc12- InChIKey
LEBYPDLSTJNDGH-UHFFFAOYSA-N- Molecular formula
- C20H16O2
- Average molar mass
- 288.3 g/mol
- Monoisotopic mass
- 288.11502975
Names & identifiers
- Preferred name
- 3,9-Dihydroxy-7,12-dimethylbenz(a)anthracene
- IUPAC
- 7,12-dimethylbenzo[a]anthracene-3,9-diol
Names & synonyms
3,9-Dihydroxy-7,12-dimethylbenz(a)anthracene67448-92-4DTXSID50217787BENZ(a)ANTHRACENE-3,9-DIOL, 7,12-DIMETHYL-Benz[a]anthracene-3,9-diol, 7,12-dimethyl-RefChem:91939DTXCID001402787,12-Dimethylbenz(a)anthracene-3,9-diol7,12-Dimethylbenz[a]anthracene-3,9-diolBRN 22889357,12-dimethyltetraphene-3,9-diolCHEMBL109459
Show more names
85V68HK5C43,9-dihydroxy-7,12-dimethylbenz[a] anthracene
Database identifiers
- CAS
67448-92-4- PubChem CID
- 49855
- DTXSID
DTXSID50217787- ChEMBL
CHEMBL109459- UNII
- 85V68HK5C4
- Nikkaji
- J73.240K
Properties
Computed structural properties
- XLogP
- 5.1
- Topological polar surface area
- 40.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 409
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Related reactions
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Compound notes
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