9,10-Anthracenedione, 1,8-bis(acetyloxy)-3-methyl-
Basic information
- CAS
18713-45-6- Standard SMILES
CC(=O)Oc1cccc2c1C(=O)c1c(OC(C)=O)cc(C)cc1C2=O- InChIKey
HKDZNWKYILPDRP-UHFFFAOYSA-N- Molecular formula
- C19H14O6
- Average molar mass
- 338.3 g/mol
- Monoisotopic mass
- 338.07903816
Names & identifiers
- Preferred name
- 9,10-Anthracenedione, 1,8-bis(acetyloxy)-3-methyl-
- IUPAC
- (8-acetyloxy-6-methyl-9,10-dioxoanthracen-1-yl) acetate
Names & synonyms
18713-45-63-Methyl-9,10-dioxo-9,10-dihydroanthracene-1,8-diyl diacetate9,10-anthracenedione, 1,8-bis(acetyloxy)-3-methyl-NSC112923Diacetylchrysophanic acidCHEMBL38417SCHEMBL14003223DTXSID50296971NSC-112923NCI60_0002903-Methyl-9,10-dioxo-9,10-dihydroanthracene-1,8-diyldiacetate
Database identifiers
- CAS
18713-45-6- PubChem CID
- 270486
- DTXSID
DTXSID50296971- ChEMBL
CHEMBL38417- Nikkaji
- J486.160D
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 86.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 597
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Related reactions
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Compound notes
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