Basic information
- CAS
83352-51-6- Standard SMILES
O=C1CC(O)C2C(=O)c3c(c(Cl)c4ccccc4c3O)C(=O)C2C1- InChIKey
CBVOWADHBSBAOM-UHFFFAOYSA-N- Molecular formula
- C18H13ClO5
- Average molar mass
- 344.7 g/mol
- Monoisotopic mass
- 344.0451512
Names & identifiers
- Preferred name
- 11-chloro-4,6-dihydroxy-3,4,4a,12a-tetrahydro-1H-tetracene-2,5,12-trione
- IUPAC
- 11-chloro-4,6-dihydroxy-3,4,4a,12a-tetrahydro-1H-tetracene-2,5,12-trione
Names & synonyms
83352-51-6NSC36290511-chloro-4,6-dihydroxy-3,4,4a,12a-tetrahydro-1H-tetracene-2,5,12-trioneDTXSID40331082NSC-36290511-Chloro-4,6-dihydroxy-3,4,4a,12a-tetrahydrotetracene-2,5,12(1H)-trione
Database identifiers
- CAS
83352-51-6- PubChem CID
- 435018
- DTXSID
DTXSID40331082
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 91.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 0
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 590
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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