Benzo[1,3]dioxole-2,2-dicarboxylic acid diethyl ester

HCID 12969876

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

Related reactions

10 records

Compound notes

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