Basic information
- CAS
25260-21-3- Standard SMILES
CCOC(=O)C1(C(=O)OCC)Oc2ccccc2O1- InChIKey
ZAFMNYPECDDVPC-UHFFFAOYSA-N- Molecular formula
- C13H14O6
- Average molar mass
- 266.25 g/mol
- Monoisotopic mass
- 266.07903817
Names & identifiers
- Preferred name
- Benzo[1,3]dioxole-2,2-dicarboxylic acid diethyl ester
- IUPAC
- diethyl 1,3-benzodioxole-2,2-dicarboxylate
Names & synonyms
benzo[1,3]dioxole-2,2-dicarboxylic acid diethyl ester25260-21-3SCHEMBL60407931,3-Benzodioxole-2,2-dicarboxylic acid, diethyl esterDTXSID60514214ZAFMNYPECDDVPC-UHFFFAOYSA-NDiethyl 2H-1,3-benzodioxole-2,2-dicarboxylate1,3benzodioxole-2,2-dicarboxylic acid, diethyl ester
Database identifiers
- CAS
25260-21-3- PubChem CID
- 12969876
- DTXSID
DTXSID60514214
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 71.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 319
Related reactions
10 records
Compound notes
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