Completing data — usually done within a minute
Basic information
- CAS
46331-24-2- Standard SMILES
CC(=O)Oc1ccc(S(=O)(=O)O)cc1- InChIKey
PCWITQSPDHVTKN-UHFFFAOYSA-N- Molecular formula
- C8H8O5S
- Average molar mass
- 216.21 g/mol
- Monoisotopic mass
- 216.00924436
Names & identifiers
- Preferred name
- 4-acetyloxybenzenesulfonic Acid
- IUPAC
- 4-acetyloxybenzenesulfonic acid
Names & synonyms
4-acetyloxybenzenesulfonic Acid46331-24-2DTXSID10332501RefChem:289656DTXCID602835944-acetoxybenzenesulfonic acid4-(acetyloxy)benzene-1-sulfonic acidSCHEMBL3161812
Database identifiers
- CAS
46331-24-2- PubChem CID
- 458339
- DTXSID
DTXSID10332501- Nikkaji
- J714.499G
Properties
Computed structural propertiesFilling in
- XLogP
- -0.1
- Topological polar surface area
- 89.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 294
Related reactions
1 records
Compound notes
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