1-Methoxy-9,10-anthracenedione
Basic information
- CAS
82-39-3- Standard SMILES
COc1cccc2c1C(=O)c1ccccc1C2=O- InChIKey
CQGDBBBZCJYDRY-UHFFFAOYSA-N- Molecular formula
- C15H10O3
- Average molar mass
- 238.24 g/mol
- Monoisotopic mass
- 238.06299418
Overview
1-methoxy-9,10-anthracenedione has been reported in Handroanthus impetiginosus with data available.
Names & identifiers
- Preferred name
- 1-Methoxy-9,10-anthracenedione
- IUPAC
- 1-methoxyanthracene-9,10-dione
- English name
- 1-methoxyanthraquinone
- Molecular formula
- C15H10O3
- Molecular weight
- 238.24
Names & synonyms
1-Methoxyanthraquinone9,10-Anthracenedione, 1-methoxy-1-Methoxy-9,10-anthracenedione1-METHOXY-9,10-ANTHRAQUINONEAnthraquinone, 1-methoxy-CCRIS 5615EINECS 201-418-8UNII-3I7WM10A1MNSC 400205BRN 18803533I7WM10A1MNSC-400205
Show more names
1-Methoxyquinone
J3.866KDTXSID80588714-08-00-02586 (Beilstein Handbook Reference)RefChem:76166DTXCID20482481-methoxyanthracene-9,10-dione82-39-3methoxyanthraquinone
Database identifiers
- CAS
82-39-3- PubChem CID
- 6707
- DTXSID
DTXSID8058871- UNII
- 3I7WM10A1M
- EC Number
- 201-418-8
- Nikkaji
- J3.866K
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 43.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 363
Experimental & physicochemical properties
SpringerMaterials Properties13C nuclear magnetic resonance spectrum
Physicochemical properties
- Melting point
- 206 · 206-210 °C
- Boiling point
- 340.83 °C · 340.83°C (rough estimate)
- Density
- 1.2068 · 1.2068 (rough estimate)
- refractive index
- 1.6 · 1.6000 (estimate)
- FDA UNII
- 3 I7WM10A1M · 3I7WM10A1M
- EPA Substance Registry System
- 9 · 9,10-Anthracenedione, 1-methoxy- (82-39-3)
- TSCA
- TSCA listed
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- tsca
- TSCA listed
Chemistry & industry
Uses & manufacturing
General Manufacturing Information9,10-Anthracenedione, 1-methoxy-: INACTIVE
Upstream & downstream products
Downstream products
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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