175276-48-9
Product Name:
METHYL 4-ACETYL-1,2,5-TRIMETHYL-1H-PYRROLE-3-CARBOXYLATE
Formula:
C11H15NO3
Inquiry
CHEMICAL AND PHYSICAL PROPERTIES
Solubility | >31.4 [ug/mL] (The mean of the results at pH 7.4) |
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COMPUTED DESCRIPTORS
Molecular Weight | 209.24 g/mol |
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XLogP3 | 1 |
Hydrogen Bond Donor Count | 0 |
Hydrogen Bond Acceptor Count | 3 |
Rotatable Bond Count | 3 |
Exact Mass | 209.10519334 g/mol |
Monoisotopic Mass | 209.10519334 g/mol |
Topological Polar Surface Area | 48.3 Ų |
Heavy Atom Count | 15 |
Formal Charge | 0 |
Complexity | 277 |
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 |