Basic information
- CAS
58976-82-2- Standard SMILES
CC(=O)OC1C=CCC2C(=O)C3=C(C(=O)c4ccccc4C3=O)C(=O)C12- InChIKey
ZWBPPZICKXFYCI-UHFFFAOYSA-N- Molecular formula
- C20H14O6
- Average molar mass
- 350.3 g/mol
- Monoisotopic mass
- 350.07903816
Names & identifiers
- Preferred name
- (5,6,11,12-Tetraoxo-1,4,4a,12a-tetrahydrotetracen-1-yl) acetate
- IUPAC
- (5,6,11,12-tetraoxo-1,4,4a,12a-tetrahydrotetracen-1-yl) acetate
Names & synonyms
58976-82-2NSC177510(5,6,11,12-tetraoxo-1,4,4a,12a-tetrahydrotetracen-1-yl) acetateDTXSID20306576NSC-177510DS-0056135,6,11,12-Naphthacenetetrone,1-(acetyloxy)-1,4,4a,12a-tetrahydro-5,6,11,12-tetraoxo-1,4,4a,5,6,11,12,12a-octahydrotetracen-1-yl acetate
Database identifiers
- CAS
58976-82-2- PubChem CID
- 301209
- DTXSID
DTXSID20306576
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 94.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 2
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 801
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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