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29569-79-7

29569-79-7 structural image
Product Name: ETHYL (1S,2S)-TRANS-2-HYDROXYCYCLOHEXANECARBOXYLATE
Formula: C9H16O3
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CHEMICAL AND PHYSICAL PROPERTIES

Kovats Retention Index 1275

COMPUTED DESCRIPTORS

Molecular Weight 172.22 g/mol
XLogP3 1.8
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 3
Rotatable Bond Count 3
Exact Mass 172.109944368 g/mol
Monoisotopic Mass 172.109944368 g/mol
Topological Polar Surface Area 46.5 Ų
Heavy Atom Count 12
Formal Charge 0
Complexity 156
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