12,13-Dimethoxy-3-oxatricyclo[8.4.0.02,6]tetradeca-1(14),2(6),10,12-tetraene-4,5-dione
Basic information
- CAS
7512-61-0- Standard SMILES
COc1cc2c(cc1OC)C1=C(CCC2)C(=O)C(=O)O1- InChIKey
JUQAGZSCQQOEFI-UHFFFAOYSA-N- Molecular formula
- C15H14O5
- Average molar mass
- 274.27 g/mol
- Monoisotopic mass
- 274.08412354
Names & identifiers
- Preferred name
- 12,13-Dimethoxy-3-oxatricyclo[8.4.0.02,6]tetradeca-1(14),2(6),10,12-tetraene-4,5-dione
- IUPAC
- 12,13-dimethoxy-3-oxatricyclo[8.4.0.02,6]tetradeca-1(14),2(6),10,12-tetraene-4,5-dione
Names & synonyms
NSC4014997512-61-0DTXSID30322545NSC-4014998,9-Dimethoxy-5,6-dihydro-2H-benzo[6,7]cyclohepta[1,2-b]furan-2,3(4H)-dione
Database identifiers
- CAS
7512-61-0- PubChem CID
- 344535
- DTXSID
DTXSID30322545
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 61.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 467
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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