Basic information
- CAS
67242-91-5- Standard SMILES
O=C(O)CSC(CC(=O)O)c1ccccc1- InChIKey
GIITZCIPVGXMHH-UHFFFAOYSA-N- Molecular formula
- C11H12O4S
- Average molar mass
- 240.28 g/mol
- Monoisotopic mass
- 240.04563003
Names & identifiers
- Preferred name
- 3-Carboxymethylsulfanyl-3-phenyl-propionic acid
- IUPAC
- 3-(carboxymethylsulfanyl)-3-phenylpropanoic acid
Names & synonyms
3-carboxymethylsulfanyl-3-phenyl-propionic acid67242-91-5DTXSID801031771
Database identifiers
- CAS
67242-91-5- PubChem CID
- 12413699
- DTXSID
DTXSID801031771
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 99.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 248
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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