313701-92-7
Product Name:
5-(2,5-DIMETHYL-PYRROL-1-YL)-2-HYDROXY-BENZOIC ACID
Formula:
C13H13NO3
Synonyms:
5-(2,5-Dimethyl-1H-pyrrol-1-yl)-2-hydroxybenzoic acid, PKM2 Inhibitor III;Pyruvate Kinase Inhibitor III - CAS 313701-92-7 - Calbiochem
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SAFETY INFORMATION
| Signal word | Danger |
|---|---|
| Pictogram(s) |
 Corrosion Corrosives GHS05  Exclamation Mark Irritant GHS07 |
| GHS Hazard Statements |
H315:Skin corrosion/irritation H317:Sensitisation, Skin H318:Serious eye damage/eye irritation |
| Precautionary Statement Codes |
P261:Avoid breathing dust/fume/gas/mist/vapours/spray. P264:Wash hands thoroughly after handling. P264:Wash skin thouroughly after handling. P272:Contaminated work clothing should not be allowed out of the workplace. P280:Wear protective gloves/protective clothing/eye protection/face protection. P302+P352:IF ON SKIN: wash with plenty of soap and water. P333+P313:IF SKIN irritation or rash occurs: Get medical advice/attention. |
COMPUTED DESCRIPTORS
| Molecular Weight | 231.25 g/mol |
|---|---|
| XLogP3 | 3.7 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 2 |
| Exact Mass | 231.08954328 g/mol |
| Monoisotopic Mass | 231.08954328 g/mol |
| Topological Polar Surface Area | 62.5 Ų |
| Heavy Atom Count | 17 |
| Formal Charge | 0 |
| Complexity | 284 |
| 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 | 1 |
| Compound Is Canonicalized | Yes |