Basic information
- Standard SMILES
CCOC(=O)C1CCc2ccc(S(C)(=O)=O)cc2O1- InChIKey
GVDKQQRTYJHBLL-UHFFFAOYSA-N- Molecular formula
- C13H16O5S
- Average molar mass
- 284.33 g/mol
Names & identifiers
- Preferred name
- Ethyl 7-(methylsulfonyl)chromane-2-carboxylate
- IUPAC
- ethyl 7-methylsulfonyl-3,4-dihydro-2H-chromene-2-carboxylate
Names & synonyms
ETHYL 7-(METHYLSULFONYL)CHROMANE-2-CARBOXYLATE1193709-61-3SCHEMBL1021672GVDKQQRTYJHBLL-UHFFFAOYSA-NDB-297579
Database identifiers
- PubChem CID
- 66879141
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 78.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 425
Related reactions
3 records
Compound notes
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