Basic information
- Standard SMILES
CC(=O)COS(=O)(=O)c1ccccc1- InChIKey
NTIXGDVITSAWOW-UHFFFAOYSA-N- Molecular formula
- C9H10O4S
- Average molar mass
- 214.24 g/mol
- Monoisotopic mass
- 214.02997997
Names & identifiers
- Preferred name
- 2-Oxopropyl benzenesulfonate
- IUPAC
- 2-oxopropyl benzenesulfonate
Names & synonyms
2-oxopropyl benzenesulfonateSCHEMBL11747444NTIXGDVITSAWOW-UHFFFAOYSA-N
Database identifiers
- PubChem CID
- 21443971
Properties
Computed structural properties
- XLogP
- 1
- Topological polar surface area
- 68.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 282
Related reactions
1 records
Compound notes
Loading…