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64375-41-3

64375-41-3 structural image
Product Name: 1H-BENZIMIDAZOLE-5-CARBOXYLIC ACID, 2,3-DIHYDRO-2-THIOXO-, METHYL ESTER
Formula: C9H8N2O2S
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COMPUTED DESCRIPTORS

Molecular Weight 208.24 g/mol
XLogP3 1
Hydrogen Bond Donor Count 2
Hydrogen Bond Acceptor Count 3
Rotatable Bond Count 2
Exact Mass 208.03064868 g/mol
Monoisotopic Mass 208.03064868 g/mol
Topological Polar Surface Area 82.4 Ų
Heavy Atom Count 14
Formal Charge 0
Complexity 270
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