Benzenesulfonic acid, 4-acetyl-
Basic information
- CAS
34074-93-6- Standard SMILES
CC(=O)c1ccc(S(=O)(=O)O)cc1- InChIKey
ACPXHHDRVABPNY-UHFFFAOYSA-N- Molecular formula
- C8H8O4S
- Average molar mass
- 200.21 g/mol
- Monoisotopic mass
- 200.01432991
Names & identifiers
- Preferred name
- Benzenesulfonic acid, 4-acetyl-
- IUPAC
- 4-acetylbenzenesulfonic acid
- English name
- Benzenesulfonic acid, 4-acetyl-
- Molecular formula
- C8
- Molecular weight
- 200.21
Names & synonyms
34074-93-6Benzenesulfonic acid, 4-acetyl-RefChem:10787164-acetylbenzenesulfonic Acid4-acetylbenzene-1-sulfonic acidp-acetylbenzenesulfonic acidSCHEMBL601340DTXSID90955631
Database identifiers
- CAS
34074-93-6- PubChem CID
- 112749
- DTXSID
DTXSID90955631- Nikkaji
- J2.071.186H
Properties
Computed structural properties
- XLogP
- 0.4
- Topological polar surface area
- 79.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 280
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Compound notes
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