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866144-80-1

866144-80-1 structural image
Product Name: DIMETHYL 5-METHYL-1-(4-METHYLBENZYL)-1H-PYRROLE-2,4-DICARBOXYLATE
Formula: C17H19NO4
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CHEMICAL AND PHYSICAL PROPERTIES

Solubility 28.9 [ug/mL] (The mean of the results at pH 7.4)

COMPUTED DESCRIPTORS

Molecular Weight 301.34 g/mol
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