Basic information
- CAS
91902-78-2- Standard SMILES
O=C(O)C(Cc1ccccc1)c1cccs1- InChIKey
DDSSZBSJRNFOJW-UHFFFAOYSA-N- Molecular formula
- C13H12O2S
- Average molar mass
- 232.3 g/mol
- Monoisotopic mass
- 232.05580079
Names & identifiers
- Preferred name
- 3-Phenyl-2-thiophen-2-ylpropanoic acid
- IUPAC
- 3-phenyl-2-thiophen-2-ylpropanoic acid
Names & synonyms
91902-78-23-phenyl-2-(thiophen-2-yl)propanoic acid3-phenyl-2-thiophen-2-ylpropanoic acidNSC38815SCHEMBL27878871DTXSID70284759NSC-38815
Database identifiers
- CAS
91902-78-2- PubChem CID
- 236381
- DTXSID
DTXSID70284759
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 65.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 236
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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