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193338-30-6

193338-30-6 structural image
Product Name: (2R,3S)-1-CARBOXY-2,3-DIHYDROXY-4-METHYLCYCLOHEXA-4,6-DIENE, 95
Formula: C8H10O4
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COMPUTED DESCRIPTORS

Molecular Weight 170.16 g/mol
XLogP3 -0.3
Hydrogen Bond Donor Count 3
Hydrogen Bond Acceptor Count 4
Rotatable Bond Count 1
Exact Mass 170.05790880 g/mol
Monoisotopic Mass 170.05790880 g/mol
Topological Polar Surface Area 77.8 Ų
Heavy Atom Count 12
Formal Charge 0
Complexity 264
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