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1257525-77-1

1257525-77-1 structural image
Product Name: Thiamine-[13C4].Hydrochloride
Formula: C12H18Cl2N4OS
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COMPUTED DESCRIPTORS

Molecular Weight 341.24 g/mol
Hydrogen Bond Donor Count 3
Hydrogen Bond Acceptor Count 6
Rotatable Bond Count 4
Exact Mass 340.0712571 g/mol
Monoisotopic Mass 340.0712571 g/mol
Topological Polar Surface Area 104 Ų
Heavy Atom Count 20
Formal Charge 0
Complexity 269
Isotope Atom Count 4
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 0
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 3
Compound Is Canonicalized Yes