2642-37-7
Product Name:
3-INDOXYL SULFATE POTASSIUM SALT
Formula:
C8H8KNO4S
Synonyms:
Potassium 3-indoxyl sulfate;Urinary indican
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CHEMICAL AND PHYSICAL PROPERTIES
| Physical Description | White to off-white crystalline powder; [Acros Organics MSDS] |
|---|---|
| Kovats Retention Index | 1525.3 |
| Chemical Classes | Nitrogen Compounds -> Indoles |
SAFETY INFORMATION
| Signal word | Danger |
|---|---|
| Pictogram(s) |
 Corrosion Corrosives GHS05 |
| GHS Hazard Statements |
H227:Flammable liquids H314:Skin corrosion/irritation |
| Precautionary Statement Codes |
P210:Keep away from heat/sparks/open flames/hot surfaces. — No smoking. P264:Wash hands thoroughly after handling. P264:Wash skin thouroughly after handling. P280:Wear protective gloves/protective clothing/eye protection/face protection. P363:Wash contaminated clothing before reuse. P301+P330+P331:IF SWALLOWED: Rinse mouth. Do NOT induce vomiting. P303+P361+P353:IF ON SKIN (or hair): Remove/Take off Immediately all contaminated clothing. Rinse SKIN with water/shower. P370+P378:In case of fire: Use … for extinction. P405:Store locked up. P403+P235:Store in a well-ventilated place. Keep cool. |
COMPUTED DESCRIPTORS
| Molecular Weight | 251.30 g/mol |
|---|---|
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 2 |
| Exact Mass | 250.96546033 g/mol |
| Monoisotopic Mass | 250.96546033 g/mol |
| Topological Polar Surface Area | 90.6 Ų |
| Heavy Atom Count | 15 |
| Formal Charge | 0 |
| Complexity | 302 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 2 |
| Compound Is Canonicalized | Yes |