866144-80-1
Product Name:
DIMETHYL 5-METHYL-1-(4-METHYLBENZYL)-1H-PYRROLE-2,4-DICARBOXYLATE
Formula:
C17H19NO4
Inquiry
CHEMICAL AND PHYSICAL PROPERTIES
Solubility | 28.9 [ug/mL] (The mean of the results at pH 7.4) |
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COMPUTED DESCRIPTORS
Molecular Weight | 301.34 g/mol |
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XLogP3 | 3.1 |
Hydrogen Bond Donor Count | 0 |
Hydrogen Bond Acceptor Count | 4 |
Rotatable Bond Count | 6 |
Exact Mass | 301.13140809 g/mol |
Monoisotopic Mass | 301.13140809 g/mol |
Topological Polar Surface Area | 57.5 Ų |
Heavy Atom Count | 22 |
Formal Charge | 0 |
Complexity | 404 |
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 |