Basic information
- CAS
63020-27-9- Standard SMILES
CCOCc1c2ccccc2c(C)c2c1ccc1ccccc12- InChIKey
BWJLESRWSCBOIL-UHFFFAOYSA-N- Molecular formula
- C22H20O
- Average molar mass
- 300.4 g/mol
- Monoisotopic mass
- 300.15141526
Names & identifiers
- Preferred name
- BENZ(a)ANTHRACENE, 7-ETHOXYMETHYL-12-METHYL-
- IUPAC
- 7-(ethoxymethyl)-12-methylbenzo[a]anthracene
- English name
- 7-Ethoxymethyl-12-methylbenz[a]anthracene
- Molecular formula
- C22H20O
- Molecular weight
- 300.3936
Names & synonyms
BENZ(a)ANTHRACENE, 7-ETHOXYMETHYL-12-METHYL-63020-27-9BRN 33822567-Ethoxymethyl-12-methylbenz(a)anthracene9-Methyl-10-ethoxymethyl-1,2-benzanthracene7-(ethoxymethyl)-12-methyltetrapheneDTXSID202122847-Ethoxymethyl-12-methylbenz[a]anthracene
Database identifiers
- CAS
63020-27-9- PubChem CID
- 44307
- DTXSID
DTXSID20212284- Nikkaji
- J73.218D
Properties
Computed structural properties
- XLogP
- 5.5
- Topological polar surface area
- 9.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 3
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 391
Physicochemical properties
- Boiling point
- 401.62 °C · 401.62°C (rough estimate)
- Density
- 1.0288 · 1.0288 (rough estimate)
- refractive index
- 1.4675 · 1.4675 (estimate)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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