Basic information
- CAS
105708-81-4- Standard SMILES
CC(=O)OCCc1c2ccccc2cc2c1ccc1ccccc12- InChIKey
IKYWJLXDVXBNOM-UHFFFAOYSA-N- Molecular formula
- C22H18O2
- Average molar mass
- 314.4 g/mol
- Monoisotopic mass
- 314.13067981
Names & identifiers
- Preferred name
- Benz(a)anthracene-7-ethanol, acetate
- IUPAC
- 2-benzo[a]anthracen-7-ylethyl acetate
Names & synonyms
Benz(a)anthracene-7-ethanol, acetate105708-81-42-(tetraphen-7-yl)ethyl acetateDTXSID00147267
Database identifiers
- CAS
105708-81-4- PubChem CID
- 150554
- DTXSID
DTXSID00147267
Properties
Computed structural properties
- XLogP
- 5.8
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 445
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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