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5435-41-6

5435-41-6 structural image
Product Name: 2-(2,7-dimethyl-1H-indol-3-yl)acetic acid
Formula: C12H13NO2
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CHEMICAL AND PHYSICAL PROPERTIES

Solubility >30.5 [ug/mL] (The mean of the results at pH 7.4)

COMPUTED DESCRIPTORS

Molecular Weight 203.24 g/mol
XLogP3 2.3
Hydrogen Bond Donor Count 2
Hydrogen Bond Acceptor Count 2
Rotatable Bond Count 2
Exact Mass 203.094628657 g/mol
Monoisotopic Mass 203.094628657 g/mol
Topological Polar Surface Area 53.1 Ų
Heavy Atom Count 15
Formal Charge 0
Complexity 254
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