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76546-68-4

76546-68-4 structural image
Product Name: ETHYL 2,5-DIMETHYL-1-PHENYL-1H-PYRROLE-3-CARBOXYLATE
Formula: C15H17NO2
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CHEMICAL AND PHYSICAL PROPERTIES

Solubility 3 [ug/mL] (The mean of the results at pH 7.4)

COMPUTED DESCRIPTORS

Molecular Weight 243.30 g/mol
XLogP3 3.3
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 2
Rotatable Bond Count 4
Exact Mass 243.125928785 g/mol
Monoisotopic Mass 243.125928785 g/mol
Topological Polar Surface Area 31.2 Ų
Heavy Atom Count 18
Formal Charge 0
Complexity 286
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