Basic information
- Standard SMILES
CCOC(=O)C1=C(c2ccc3c(c2)OCO3)c2ccccc2C1c1ccc2c(c1)OCO2- InChIKey
YZHJUNQRNHFSPM-UHFFFAOYSA-N- Molecular formula
- C26H20O6
- Average molar mass
- 428.4 g/mol
- Monoisotopic mass
- 428.12598835
Names & identifiers
- Preferred name
- Ethyl (RS)-1,3-Di-(3,4-methylenedioxyphenyl)indene-2-carboxylate
- IUPAC
- ethyl 1,3-bis(1,3-benzodioxol-5-yl)-1H-indene-2-carboxylate
Names & synonyms
SCHEMBL7947116YZHJUNQRNHFSPM-UHFFFAOYSA-NEthyl (RS)-1,3-Di-(3,4-methylenedioxyphenyl)indene-2-carboxylateEthyl(RS)-1,3-Di-(3,4-methylenedioxyphenyl)indene-2-carboxylate
Database identifiers
- PubChem CID
- 21714780
Properties
Computed structural properties
- XLogP
- 4.9
- Topological polar surface area
- 63.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 749
Related reactions
18 records
Compound notes
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