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Basic information
- Standard SMILES
COC(=O)c1cc(O)c(C)c2c1Oc1c(C=O)c(O)cc(C)c1C(=O)O2- InChIKey
OFIKVTUCXJMWPF-UHFFFAOYSA-N- Molecular formula
- C18H14O8
- Average molar mass
- 358.3 g/mol
Names & identifiers
- Preferred name
- 4-formyl-3,8-dihydroxy-1,9-dimethyl-11-oxo-11H-dibenzo[b,e][1,4]dioxepine-6-carboxylic acid methyl ester
- IUPAC
- methyl 10-formyl-3,9-dihydroxy-4,7-dimethyl-6-oxobenzo[b][1,4]benzodioxepine-1-carboxylate
Names & synonyms
SCHEMBL2113613OFIKVTUCXJMWPF-UHFFFAOYSA-N4-formyl-3,8-dihydroxy-1,9-dimethyl-11-oxo-11H-dibenzo[b,e][1,4]dioxepine-6-carboxylic acid methyl ester
Database identifiers
- PubChem CID
- 86643252
Properties
Computed structural propertiesFilling in
- XLogP
- 2.8
- Topological polar surface area
- 119 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 3
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 578
Related reactions
4 records
Compound notes
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