Basic information
- CAS
111238-19-8- Standard SMILES
COc1ccc2c(ccc3c4c5c(cccc5c(C)c32)CC4)c1- InChIKey
GJVSTMFBUMSURJ-UHFFFAOYSA-N- Molecular formula
- C22H18O
- Average molar mass
- 298.4 g/mol
- Monoisotopic mass
- 298.13576519
Names & identifiers
- Preferred name
- Benz(j)aceanthrylene, 1,2-dihydro-9-methoxy-6-methyl-
- IUPAC
- 9-methoxy-6-methyl-1,2-dihydrobenzo[j]aceanthrylene
Names & synonyms
Benz(j)aceanthrylene, 1,2-dihydro-9-methoxy-6-methyl-111238-19-8DTXSID601495609-Methoxy-6-methyl-1,2-dihydrocyclopenta[ij]tetraphene
Database identifiers
- CAS
111238-19-8- PubChem CID
- 183232
- DTXSID
DTXSID60149560
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
- 23
- Formal charge
- 0
- Complexity
- 445
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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