96449-93-3
Product Name:
5-OXO-1-(1-PHENYL-ETHYL)-PYRROLIDINE-3-CARBOXYLIC ACID
Formula:
C13H15NO3
Inquiry
CHEMICAL AND PHYSICAL PROPERTIES
Solubility | >35 [ug/mL] (The mean of the results at pH 7.4) |
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SAFETY INFORMATION
Signal word | Warning |
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Pictogram(s) |
Exclamation Mark Irritant GHS07 |
GHS Hazard Statements |
H335:Specific target organ toxicity, single exposure;Respiratory tract irritation |
Precautionary Statement Codes |
P280:Wear protective gloves/protective clothing/eye protection/face protection. P321:Specific treatment (see … on this label). P304+P340:IF INHALED: Remove victim to fresh air and Keep at rest in a position comfortable for breathing. |
COMPUTED DESCRIPTORS
Molecular Weight | 233.26 g/mol |
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XLogP3 | 0.9 |
Hydrogen Bond Donor Count | 1 |
Hydrogen Bond Acceptor Count | 3 |
Rotatable Bond Count | 3 |
Exact Mass | 233.10519334 g/mol |
Monoisotopic Mass | 233.10519334 g/mol |
Topological Polar Surface Area | 57.6 Ų |
Heavy Atom Count | 17 |
Formal Charge | 0 |
Complexity | 310 |
Isotope Atom Count | 0 |
Defined Atom Stereocenter Count | 0 |
Undefined Atom Stereocenter Count | 2 |
Defined Bond Stereocenter Count | 0 |
Undefined Bond Stereocenter Count | 0 |
Covalently-Bonded Unit Count | 1 |
Compound Is Canonicalized | Yes |