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400080-46-8

400080-46-8 structural image
Product Name: 2-(3,4-DIMETHOXY-PHENYL)-4-METHYL-THIAZOLE-5-CARBOXYLIC ACID
Formula: C13H13NO4S
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COMPUTED DESCRIPTORS

Molecular Weight 279.31 g/mol
XLogP3 2.8
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 6
Rotatable Bond Count 4
Exact Mass 279.05652907 g/mol
Monoisotopic Mass 279.05652907 g/mol
Topological Polar Surface Area 96.9 Ų
Heavy Atom Count 19
Formal Charge 0
Complexity 328
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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