1-Methoxy-3-hydroxy-9,10-anthracenedione
Basic information
- CAS
28504-24-7- Standard SMILES
COc1cc(O)cc2c1C(=O)c1ccccc1C2=O- InChIKey
DUOHXWPFZBYSNM-UHFFFAOYSA-N- Molecular formula
- C15H10O4
- Average molar mass
- 254.24 g/mol
- Monoisotopic mass
- 254.0579088
Overview
1-Methoxy-3-hydroxy-9,10-anthracenedione has been reported in Morinda citrifolia and Plocama pendula with data available.
Names & identifiers
- Preferred name
- 1-Methoxy-3-hydroxy-9,10-anthracenedione
- IUPAC
- 3-hydroxy-1-methoxyanthracene-9,10-dione
- English name
- 1-Methoxy-3-hydroxy-9,10-anthracenedione
- Molecular formula
- C15H10O4
- Molecular weight
- 254.24
Names & synonyms
28504-24-71-Methoxy-3-hydroxy-9,10-anthracenedione3-hydroxy-1-methoxyanthracene-9,10-dione3-Hydroxy-1-methoxyanthraquinone3-Hydroxy-1-methoxy-9,10-anthraquinoneSCHEMBL16226585DTXSID30347339DUOHXWPFZBYSNM-UHFFFAOYSA-N3-Hydroxy-1-methoxyanthra-9,10-quinone #9,10-Anthracenedione, 3-hydroxy-1-methoxy-
Database identifiers
- CAS
28504-24-7- PubChem CID
- 620298
- DTXSID
DTXSID30347339- Nikkaji
- J88.564I
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 63.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 392
Experimental & physicochemical properties
SpringerMaterials Properties13C nuclear magnetic resonance spectrum
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Related reactions
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Compound notes
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