Basic information
- Standard SMILES
CCOC(=O)C1Oc2ccc(C)cc2O1- InChIKey
SMHJJEGORMQIET-UHFFFAOYSA-N- Molecular formula
- C11H12O4
- Average molar mass
- 208.21 g/mol
Names & identifiers
- Preferred name
- 5-Methyl-1,3-benzodioxole-2-carboxylic acid ethyl ester
- IUPAC
- ethyl 5-methyl-1,3-benzodioxole-2-carboxylate
Names & synonyms
SCHEMBL10845334SMHJJEGORMQIET-UHFFFAOYSA-N5-methyl-1,3-benzodioxole-2-carboxylic acid ethyl ester
Database identifiers
- PubChem CID
- 54313136
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 44.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 241
Related reactions
4 records
Compound notes
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