2-[1-(4-Hydroxy-3-methoxyphenyl)ethylsulfanyl]acetic acid
Basic information
- CAS
7478-94-6- Standard SMILES
COc1cc(C(C)SCC(=O)O)ccc1O- InChIKey
VYUXYRNDAZKAPL-UHFFFAOYSA-N- Molecular formula
- C11H14O4S
- Average molar mass
- 242.29 g/mol
- Monoisotopic mass
- 242.0612801
Names & identifiers
- Preferred name
- 2-[1-(4-Hydroxy-3-methoxyphenyl)ethylsulfanyl]acetic acid
- IUPAC
- 2-[1-(4-hydroxy-3-methoxyphenyl)ethylsulfanyl]acetic acid
Names & synonyms
2-[1-(4-hydroxy-3-methoxyphenyl)ethylsulfanyl]acetic acid7478-94-6NSC401558DTXSID60322573NSC-401558{[1-(4-HYDROXY-3-METHOXYPHENYL)ETHYL]SULFANYL}ACETIC ACID
Database identifiers
- CAS
7478-94-6- PubChem CID
- 344579
- DTXSID
DTXSID60322573
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 92.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 234
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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