3-Methoxy-12-methylbenzo(a)anthracene
Basic information
- CAS
111238-08-5- Standard SMILES
COc1ccc2c(ccc3cc4ccccc4c(C)c32)c1- InChIKey
JVIZUJYXUWQROK-UHFFFAOYSA-N- Molecular formula
- C20H16O
- Average molar mass
- 272.3 g/mol
- Monoisotopic mass
- 272.12011513
Names & identifiers
- Preferred name
- 3-Methoxy-12-methylbenzo(a)anthracene
- IUPAC
- 3-methoxy-12-methylbenzo[a]anthracene
Names & synonyms
111238-08-5Benzo(a)anthracene, 3-methoxy-12-methyl-3-Methoxy-12-methylbenzo(a)anthracene3-methoxy-12-methyltetrapheneDTXSID50149554
Database identifiers
- CAS
111238-08-5- PubChem CID
- 183221
- DTXSID
DTXSID50149554
Properties
Computed structural properties
- XLogP
- 6.3
- Topological polar surface area
- 9.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 365
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Compound notes
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