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94084-70-5

94084-70-5 structural image
Product Name: 5-[(METHYLTHIO)METHYL]-2-FUROIC ACID
Formula: C7H8O3S
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COMPUTED DESCRIPTORS

Molecular Weight 172.20 g/mol
XLogP3 1.3
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 4
Rotatable Bond Count 3
Exact Mass 172.01941529 g/mol
Monoisotopic Mass 172.01941529 g/mol
Topological Polar Surface Area 75.7 Ų
Heavy Atom Count 11
Formal Charge 0
Complexity 149
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