4-({2-[(Carboxymethyl)sulfinyl]acetyl}amino)benzenecarboxylic acid
Basic information
- CAS
344264-65-9- Standard SMILES
O=C(O)CS(=O)CC(=O)Nc1ccc(C(=O)O)cc1- InChIKey
PRPVKQCQEVJLAF-UHFFFAOYSA-N- Molecular formula
- C11H11NO6S
- Average molar mass
- 285.28 g/mol
Names & identifiers
- Preferred name
- 4-({2-[(Carboxymethyl)sulfinyl]acetyl}amino)benzenecarboxylic acid
- IUPAC
- 4-[[2-(carboxymethylsulfinyl)acetyl]amino]benzoic acid
- English name
- 4-((2-[(Carboxymethyl)sulfinyl]acetyl)amino)benzenecarboxylic acid
- Molecular formula
- C11H11NO6S
- Molecular weight
- 285.27
Names & synonyms
344264-65-94-({2-[(carboxymethyl)sulfinyl]acetyl}amino)benzenecarboxylic acid4-[[2-(carboxymethylsulfinyl)acetyl]amino]benzoic Acid4-[2-(carboxymethanesulfinyl)acetamido]benzoic acidOprea1_035824MFCD01316603AKOS0050979677H-321S4-[2-(carboxymethanesulfinyl)acetamido]benzoicacidBenzoic acid, 4-[[2-[(carboxymethyl)sulfinyl]acetyl]amino]-4-((2-[(Carboxymethyl)sulfinyl]acetyl)amino)benzenecarboxylic acid
Database identifiers
- CAS
344264-65-9
Properties
Computed structural properties
- XLogP
- 0.2
- Topological polar surface area
- 140 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 6
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 389
Physicochemical properties
- Boiling point
- 746.2 · 746.2±55.0 °C(Predicted)
- Density
- 1.656 · 1.656±0.06 g/cm3(Predicted)
- pka
- 2.74 · 2.74±0.10(Predicted)
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…