1-Hydroxy-9,10-dioxo-9,10-dihydroanthracene-2-carboxylic acid
Basic information
- CAS
7400-93-3- Standard SMILES
O=C(O)c1ccc2c(c1O)C(=O)c1ccccc1C2=O- InChIKey
KUNHZSKWJIXMCA-UHFFFAOYSA-N- Molecular formula
- C15H8O5
- Average molar mass
- 268.22 g/mol
- Monoisotopic mass
- 268.03717335
Names & identifiers
- Preferred name
- 1-Hydroxy-9,10-dioxo-9,10-dihydroanthracene-2-carboxylic acid
- IUPAC
- 1-hydroxy-9,10-dioxoanthracene-2-carboxylic acid
- English name
- 1-Hydroxy-2-carboxyanthraquinone
- Molecular formula
- C15H8O5
- Molecular weight
- 268.22
Names & synonyms
1-hydroxy-9,10-dioxo-9,10-dihydroanthracene-2-carboxylic acid7400-93-3NSC371301-Hydroxy-2-carboxyanthrachinonSCHEMBL11411791DTXSID00913308NSC-37130STL512523AKOS030488285AF-399/117861341-hydroxy-9,10-dioxo-9,10-dihydro-2-anthracenecarboxylic acid1-Hydroxy-2-carboxyanthraquinone
Show more names
9,10-Dihydro-1-hydroxy-9,10-dioxo-2-anthracenecarboxylic acid2-Anthracenecarboxylic acid, 9,10-dihydro-1-hydroxy-9,10-dioxo-
Database identifiers
- CAS
7400-93-3、984-43-0- PubChem CID
- 235576
- DTXSID
DTXSID00913308- Nikkaji
- J227.748D
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 91.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 1
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 457
Physicochemical properties
- Melting point
- 224 · 224-225 °C
- Boiling point
- 519 · 519.0±50.0 °C(Predicted)
- Density
- 1.577 · 1.577±0.06 g/cm3(Predicted)
- pka
- 2.03 · 2.03±0.20(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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