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727687-76-5

727687-76-5 structural image
Product Name: 3-(CARBOXYMETHYL)-1H-INDOLE-2,5-DICARBOXYLIC ACID
Formula: C12H9NO6
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CHEMICAL AND PHYSICAL PROPERTIES

Solubility >39.5 [ug/mL] (The mean of the results at pH 7.4)

COMPUTED DESCRIPTORS

Molecular Weight 263.20 g/mol
XLogP3 0.9
Hydrogen Bond Donor Count 4
Hydrogen Bond Acceptor Count 6
Rotatable Bond Count 4
Exact Mass 263.04298701 g/mol
Monoisotopic Mass 263.04298701 g/mol
Topological Polar Surface Area 128 Ų
Heavy Atom Count 19
Formal Charge 0
Complexity 409
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

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