Basic information
- CAS
632-77-9- Standard SMILES
O=C1c2ccc(O)c(O)c2C(=O)c2ccc(O)c(O)c21- InChIKey
UIAOMKQPMHYQTQ-UHFFFAOYSA-N- Molecular formula
- C14H8O6
- Average molar mass
- 272.21 g/mol
- Monoisotopic mass
- 272.03208798
Overview
1,2,5,6-tetrahydroxyanthraquinone is a tetrahydroxyanthraquinone.
Names & identifiers
- Preferred name
- 1,2,5,6-Tetrahydroxyanthraquinone
- IUPAC
- 1,2,5,6-tetrahydroxyanthracene-9,10-dione
- English name
- 1,2,5,6-tetrahydroxyanthraquinone
- Molecular formula
- C14H8O6
- Molecular weight
- 272.21
Names & synonyms
1,2,5,6-Tetrahydroxyanthraquinone1,2,5,6-tetrahydroxyanthracene-9,10-dione632-77-91,2,5,6-tetrahydroxy-9,10-anthraquinone2XA6T3L444NSC-133370EINECS 211-184-9NSC133370UNII-2XA6T3L444SCHEMBL2772226CHEBI:37497DTXSID50212555
Show more names
rufiopin9,10-Anthracenedione, 1,2,5,6-tetrahydroxy-
UIAOMKQPMHYQTQ-UHFFFAOYSA-NNSC 133370NS00035406Q27117168
Database identifiers
- CAS
632-77-9- PubChem CID
- 69440
- DTXSID
DTXSID50212555- ChEBI
CHEBI:37497- UNII
- 2XA6T3L444
- EC Number
- 211-184-9
- Nikkaji
- J205.904E
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 115 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 0
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 395
Physicochemical properties
- Melting point
- 340 °C · 340°C
- Boiling point
- 375.27 °C · 375.27°C (rough estimate)
- Density
- 1.4292 · 1.4292 (rough estimate)
- refractive index
- 1.523 · 1.5230 (estimate)
- FDA UNII
- 2 XA6T3L444 · 2XA6T3L444
Chemistry & industry
Additional notes
DefinitionChEBI: 1,2,5,6-tetrahydroxyanthraquinone is a tetrahydroxyanthraquinone.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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