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339028-98-7

339028-98-7 structural image
Product Name: 3,3-BIS(HYDROXYMETHYL)-2,3-DIHYDRO-4H-THIOCHROMEN-4-ONE 4-METHOXYBENZALDEHYDE ACETAL
Formula: C19H18O4S
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COMPUTED DESCRIPTORS

Molecular Weight 342.4 g/mol
XLogP3 2.8
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 5
Rotatable Bond Count 2
Exact Mass 342.09258022 g/mol
Monoisotopic Mass 342.09258022 g/mol
Topological Polar Surface Area 70.1 Ų
Heavy Atom Count 24
Formal Charge 0
Complexity 452
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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