Basic information
- Standard SMILES
COC(=O)c1ccc2occ(-c3ccc(S(C)=O)cc3)c2c1- InChIKey
JUDVXDSSNFOXQA-UHFFFAOYSA-N- Molecular formula
- C17H14O4S
- Average molar mass
- 314.4 g/mol
- Monoisotopic mass
- 314.0612801
Names & identifiers
- Preferred name
- Methyl 3-[4-(methylsulfinyl)phenyl]-1-benzofuran-5-carboxylate
- IUPAC
- methyl 3-(4-methylsulfinylphenyl)-1-benzofuran-5-carboxylate
Names & synonyms
SCHEMBL3492564JUDVXDSSNFOXQA-UHFFFAOYSA-Nmethyl 3-[4-(methylsulfinyl)phenyl]-1-benzofuran-5-carboxylate
Database identifiers
- PubChem CID
- 44482291
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 75.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 430
Related reactions
1 records
Compound notes
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