Basic information
- Standard SMILES
COCSc1ccc(CC(=O)O)cc1- InChIKey
KRWZBOYULMFUQH-UHFFFAOYSA-N- Molecular formula
- C10H12O3S
- Average molar mass
- 212.27 g/mol
- Monoisotopic mass
- 212.05071541
Names & identifiers
- Preferred name
- (4-Methoxymethylsulfanyl-phenyl)-acetic acid
- IUPAC
- 2-[4-(methoxymethylsulfanyl)phenyl]acetic acid
Names & synonyms
SCHEMBL2647401KRWZBOYULMFUQH-UHFFFAOYSA-NAKOS014701501(4-methoxymethylsulfanyl-phenyl)-acetic acid
Database identifiers
- PubChem CID
- 21094076
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 71.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 176
Related reactions
8 records
Compound notes
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