Basic information
- Standard SMILES
COC(=O)c1ccc(OC)c2c1OCC1(COCOC1)CO2- InChIKey
ZHHGDOWJIXBTSS-UHFFFAOYSA-N- Molecular formula
- C15H18O7
- Average molar mass
- 310.3 g/mol
- Monoisotopic mass
- 310.10525291
Names & identifiers
- Preferred name
- 9-Methoxy-spiro[2H-1,5-benzodioxepin-3(4H),5'-[1,3]dioxane]-6-carboxylic acid methyl ester
- IUPAC
- methyl 6'-methoxyspiro[1,3-dioxane-5,3'-2,4-dihydro-1,5-benzodioxepine]-9'-carboxylate
Names & synonyms
SCHEMBL3307771ZHHGDOWJIXBTSS-UHFFFAOYSA-N9-Methoxy-spiro[2H-1,5-benzodioxepin-3(4H),5'-[1,3]dioxane]-6-carboxylic acid methyl ester
Database identifiers
- PubChem CID
- 59286709
Properties
Computed structural properties
- XLogP
- 1.2
- Topological polar surface area
- 72.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 3
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 393
Related reactions
3 records
Compound notes
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