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205504-03-6

205504-03-6 structural image
Product Name: (2R,3S)-1-CARBOXY-5-IODO-4-METHYL-2,3-DIHYDROXYCYCLOHEXA-4,6-DIENE
Formula: C8H9IO4
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COMPUTED DESCRIPTORS

Molecular Weight 296.06 g/mol
XLogP3 -0.1
Hydrogen Bond Donor Count 3
Hydrogen Bond Acceptor Count 4
Rotatable Bond Count 1
Exact Mass 295.95456 g/mol
Monoisotopic Mass 295.95456 g/mol
Topological Polar Surface Area 77.8 Ų
Heavy Atom Count 13
Formal Charge 0
Complexity 305
Isotope Atom Count 0
Defined Atom Stereocenter Count 2
Undefined Atom Stereocenter Count 0
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes