1-(3-Methoxyphenoxy)anthraquinone
Basic information
- CAS
122357-52-2- Standard SMILES
COc1cccc(Oc2cccc3c2C(=O)c2ccccc2C3=O)c1- InChIKey
IRCISKWSDVQUDB-UHFFFAOYSA-N- Molecular formula
- C21H14O4
- Average molar mass
- 330.3 g/mol
- Monoisotopic mass
- 330.08920892
Names & identifiers
- Preferred name
- 1-(3-Methoxyphenoxy)anthraquinone
- IUPAC
- 1-(3-methoxyphenoxy)anthracene-9,10-dione
Names & synonyms
122357-52-21-(3-METHOXYPHENOXY)ANTHRAQUINONERefChem:423952654-837-71-(3-methoxyphenoxy)anthracene-9,10-dioneAKOS024332875
Database identifiers
- CAS
122357-52-2- PubChem CID
- 5228720
- EC Number
- 654-837-7
Properties
Computed structural properties
- XLogP
- 4.8
- Topological polar surface area
- 52.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 516
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H400 (100%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard]
P273, P391, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAquatic Acute 1 (100%)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…