Basic information
- Standard SMILES
CC(O)CC(=O)Oc1cccs1- InChIKey
PQDSZMWXZDOGQE-UHFFFAOYSA-N- Molecular formula
- C8H10O3S
- Average molar mass
- 186.23 g/mol
- Monoisotopic mass
- 186.03506535
Names & identifiers
- Preferred name
- 3-Hydroxybutyrate thiophenyl ester
- IUPAC
- thiophen-2-yl 3-hydroxybutanoate
Names & synonyms
SCHEMBL17564673-hydroxybutyrate thiophenyl esterPQDSZMWXZDOGQE-UHFFFAOYSA-N
Database identifiers
- PubChem CID
- 67150396
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 74.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 160
Related reactions
2 records
Compound notes
Loading…