4-Sulfonylphenylglyoxal
Basic information
- CAS
67014-03-3- Standard SMILES
O=CC(=O)c1ccc(S(=O)(=O)O)cc1- InChIKey
OKQBJZOLLMZHSH-UHFFFAOYSA-N- Molecular formula
- C8H6O5S
- Average molar mass
- 214.2 g/mol
- Monoisotopic mass
- 213.99359446
Overview
arginine-modifying reagent
Names & identifiers
- Preferred name
- 4-Sulfonylphenylglyoxal
- IUPAC
- 4-oxaldehydoylbenzenesulfonic acid
- English name
- 4-sulfonylphenylglyoxal
- Molecular formula
- C8H6O5S
- Molecular weight
- 214.2
Names & synonyms
4-Sulfonylphenylglyoxalpara-Sulfonylphenylglyoxal67014-03-3Benzenesulfonic acid, 4-(oxoacetyl)-RefChem:100488DTXSID909858574-(Oxoacetyl)benzene-1-sulfonic acid4-oxaldehydoylbenzenesulfonic acidBenzenesulfonic acid, 4-(2-oxoacetyl)-
Database identifiers
- CAS
67014-03-3- PubChem CID
- 194243
- DTXSID
DTXSID90985857
Properties
Computed structural properties
- XLogP
- 0
- Topological polar surface area
- 96.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 318
Physicochemical properties
- Density
- 1.518 · 1.518±0.06 g/cm3(Predicted)
- pka
- -1.23 · -1.23±0.50(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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