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76163-96-7

76163-96-7 structural image
Product Name: 2,2-DIMETHYL-PROPIONIC ACID (1R,5R)-6,6-DIMETHYL-4-OXO-BICYCLO[3.1.1]HEPT-2-EN-2-YLMETHYL ESTER
Formula: C15H22O3
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COMPUTED DESCRIPTORS

Molecular Weight 250.33 g/mol
XLogP3 2.3
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 3
Rotatable Bond Count 4
Exact Mass 250.15689456 g/mol
Monoisotopic Mass 250.15689456 g/mol
Topological Polar Surface Area 43.4 Ų
Heavy Atom Count 18
Formal Charge 0
Complexity 424
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

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