Basic information
- CAS
147088-69-5- Standard SMILES
Cc1cc2c(c(O)c1C)C(=O)c1ccccc1C2=O- InChIKey
GARRKQYRNXWAAS-UHFFFAOYSA-N- Molecular formula
- C16H12O3
- Average molar mass
- 252.26 g/mol
- Monoisotopic mass
- 252.07864424
Overview
9,10-Anthracenedione, 1-hydroxydimethyl- has been reported in Gynochthodes officinalis with data available.
Names & identifiers
- Preferred name
- 1-Hydroxy-2,3-dimethylanthracene-9,10-dione
- IUPAC
- 1-hydroxy-2,3-dimethylanthracene-9,10-dione
Names & synonyms
1-hydroxy-2,3-dimethylanthracene-9,10-dioneRefChem:1055570147088-69-51-Hydroxy-2,3-dimethylanthraquinone61231-62-79,10-Anthracenedione, 1-hydroxydimethyl-1-HYDROXY-2,3-DIMETHYL-ANTHRAQUINONEDTXSID002743051-hydroxyl-2,3-dimethylanthraquinoneAKOS024341724
Database identifiers
- CAS
147088-69-5、61231-62-7- PubChem CID
- 1382
- DTXSID
DTXSID00274305- EC Number
- 118-940-6
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 54.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 403
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
H411 (100%): Toxic to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]
P273, P391, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAquatic Chronic 2 (100%)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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