2386-28-9
Product Name:
4-ACETYL-3,5-DIMETHYL-1H-PYRROLE-2-CARBOXYLIC ACID
Formula:
C9H11NO3
Inquiry
CHEMICAL AND PHYSICAL PROPERTIES
Solubility | >27.2 [ug/mL] (The mean of the results at pH 7.4) |
---|
SAFETY INFORMATION
Signal word | Warning |
---|---|
Pictogram(s) |
Exclamation Mark Irritant GHS07 |
GHS Hazard Statements |
H315:Skin corrosion/irritation H319:Serious eye damage/eye irritation H335:Specific target organ toxicity, single exposure;Respiratory tract irritation |
Precautionary Statement Codes |
P261:Avoid breathing dust/fume/gas/mist/vapours/spray. P305+P351+P338:IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing. |
COMPUTED DESCRIPTORS
Molecular Weight | 181.19 g/mol |
---|---|
XLogP3 | 1 |
Hydrogen Bond Donor Count | 2 |
Hydrogen Bond Acceptor Count | 3 |
Rotatable Bond Count | 2 |
Exact Mass | 181.07389321 g/mol |
Monoisotopic Mass | 181.07389321 g/mol |
Topological Polar Surface Area | 70.2 Ų |
Heavy Atom Count | 13 |
Formal Charge | 0 |
Complexity | 239 |
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 |