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332936-67-1

332936-67-1 structural image
Product Name: ([4-METHYL-5-(2-METHYLPHENYL)-4H-1,2,4-TRIAZOL-3-YL]SULFANYL)ACETIC ACID
Formula: C12H13N3O2S
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COMPUTED DESCRIPTORS

Molecular Weight 263.32 g/mol
XLogP3 1.9
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 5
Rotatable Bond Count 4
Exact Mass 263.07284784 g/mol
Monoisotopic Mass 263.07284784 g/mol
Topological Polar Surface Area 93.3 Ų
Heavy Atom Count 18
Formal Charge 0
Complexity 303
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