Basic information
- CAS
2961-04-8- Standard SMILES
O=C1c2cccc(O)c2C(=O)c2c(O)ccc(O)c21- InChIKey
PRKNCOCERFKSLP-UHFFFAOYSA-N- Molecular formula
- C14H8O5
- Average molar mass
- 256.21 g/mol
- Monoisotopic mass
- 256.03717336
Overview
1,4,5-trihydroxyanthraquinone is a trihydroxyanthraquinone.
Names & identifiers
- Preferred name
- 1,4,5-Trihydroxyanthraquinone
- IUPAC
- 1,4,5-trihydroxyanthracene-9,10-dione
- English name
- 1,4,5-TRIHYDROXYANTHRAQUINONE
- Molecular formula
- C14H8O5
- Molecular weight
- 256.21
Names & synonyms
1,4,5-Trihydroxyanthraquinone1,4,5-trihydroxyanthracene-9,10-dione2961-04-85G8KWJ3JJXAnthraquinone, 1,4,5-trihydroxy-NSC-375915-HYDROXYQUINIZARIN1,4,5-trihydroxy-9,10-anthraquinoneCHEBI:37490DTXSID50183791EINECS 220-992-0NSC 37591
Show more names
Anthraquinone Impurity 21,4,8-TRIHYDROXYANTHRAQUINONE1,4,5-trihydroxyanthra-9,10-quinone
9,10-Anthracenedione, 1,4,5-trihydroxy-1,4,5-TRIHYDROXY-9,10-ANTHRACENEDIONERefChem:72977DTXCID90106282220-992-0NSC37591UNII-5G8KWJ3JJX1,5-Trihydroxyanthraquinone
Database identifiers
- CAS
2961-04-8- PubChem CID
- 76295
- DTXSID
DTXSID50183791- ChEMBL
CHEMBL363594- ChEBI
CHEBI:37490- UNII
- 5G8KWJ3JJX
- EC Number
- 220-992-0
- Nikkaji
- J195.806B
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 94.8 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 0
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 407
Physicochemical properties
- Melting point
- 254 · 254-256 °C (decomp)
- Boiling point
- 503.4 · 503.4±45.0 °C(Predicted)
- Density
- 1.659 · 1.659±0.06 g/cm3(Predicted)
- pka
- 6.36 · 6.36±0.20(Predicted)
- FDA UNII
- 5 G8KWJ3JJX · 5G8KWJ3JJX
Chemistry & industry
Upstream & downstream products
Downstream products
Suppliers4 total
深圳振强药物研发有限公司0755-66853366 13670046396 · [email protected]
Alfa Chemistry+1-5166625404 · [email protected]
深圳博泰尔生物技术有限公司13316949107 13316968096 · [email protected]
陕西缔都医药化工有限公司029-029-029-81148696 18161915376 · [email protected]
Additional notes
DefinitionChEBI: 1,4,5-trihydroxyanthraquinone is a trihydroxyanthraquinone.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…