Basic information
- CAS
17526-33-9- Standard SMILES
CC(=O)OCc1c2ccccc2cc2ccc3ccccc3c12- InChIKey
JMUGSXYAMMYGME-UHFFFAOYSA-N- Molecular formula
- C21H16O2
- Average molar mass
- 300.3 g/mol
- Monoisotopic mass
- 300.11502975
Names & identifiers
- Preferred name
- Benz(a)anthracene-12-methanol, acetate
- IUPAC
- benzo[a]anthracen-12-ylmethyl acetate
Names & synonyms
Benz(a)anthracene-12-methanol, acetate12-Acetoxymethylbenz(a)anthracene17526-33-9CCRIS 279512-ACETOXYMETHYLBENZ[A]ANTHRACENEBRN 2146487(Tetraphen-12-yl)methyl acetateDTXSID60169960
Database identifiers
- CAS
17526-33-9- PubChem CID
- 146409
- DTXSID
DTXSID60169960
Properties
Computed structural properties
- XLogP
- 5.4
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 432
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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