Basic information
- CAS
69847-25-2- Standard SMILES
COc1ccc2c(ccc3cc4ccccc4cc32)c1- InChIKey
FDVWSUSGAVPIMR-UHFFFAOYSA-N- Molecular formula
- C19H14O
- Average molar mass
- 258.3 g/mol
- Monoisotopic mass
- 258.10446507
Names & identifiers
- Preferred name
- Benz(a)anthracene, 3-methoxy-
- IUPAC
- 3-methoxybenzo[a]anthracene
- English name
- 3-Methoxybenz[a]anthracene
- Molecular formula
- C19H14O
- Molecular weight
- 258.31
Names & synonyms
Benz(a)anthracene, 3-methoxy-69847-25-23-Methoxybenz[a]anthracene3-methoxybenzo[a]anthracene3-METHOXYTETRAPHENE3-Methoxybenz[a]anthracene;3-methoxybenzanthracene4'-Methoxy-1,2-benzanthracenDTXSID40220144DB-294439Benz[a]anthracene, 3-methoxy-
Database identifiers
- CAS
69847-25-2- PubChem CID
- 155341
- DTXSID
DTXSID40220144
Properties
Computed structural properties
- XLogP
- 6
- Topological polar surface area
- 9.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 339
Experimental & physicochemical properties
SpringerMaterials PropertiesAngular frequency
Chemistry & industry
Applications
Uses3-Methoxybenz[a]anthracene is a carcinogenic compound used in studies allowing for research towards breast cancer. Intermediate in the synthesis of Benz[a]anthracen-3-ol (B120585) A derivative of the most potent carcinogenic hydrocarbon, 7,12-Dimethylbenz[a]anthracene (D464500), a highly potent carcinogen that is activated by microsomal enzymes to a diol epoxide metabolite that binds covalently to DNA in mammalian cells, leading ultimately to tumor induction. Benz[a]anthracen-3-ol is used in carcinogenesis studies relating to breast cancer.
Upstream & downstream products
Upstream raw materials
Suppliers4 total
上海陶素生化科技有限公司021-33632979 · [email protected]
艾吉析科技（上海）有限公司17717235263 17717235263 · [email protected]
深圳聚合生化科技有限公司+86-400-002-6226 13028896684 · [email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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