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409353-81-7

409353-81-7 structural image
Product Name: 1-BENZO[1,3]DIOXOL-5-YL-2,5-DIMETHYL-1H-PYRROLE-3-CARBALDEHYDE
Formula: C14H13NO3
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CHEMICAL AND PHYSICAL PROPERTIES

Solubility 24.6 [ug/mL] (The mean of the results at pH 7.4)

COMPUTED DESCRIPTORS

Molecular Weight 243.26 g/mol
XLogP3 2.4
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 3
Rotatable Bond Count 2
Exact Mass 243.08954328 g/mol
Monoisotopic Mass 243.08954328 g/mol
Topological Polar Surface Area 40.5 Ų
Heavy Atom Count 18
Formal Charge 0
Complexity 322
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