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253607-91-9

253607-91-9 structural image
Product Name: 2,2-DIFLUORO-2-(5-OXAHEXACYCLO[5.4.1.0(2,6).0(3,10).0(4,8).0(9,12)]DODEC-4-YL)ACETIC ACID
Formula: C13H12F2O3
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COMPUTED DESCRIPTORS

Molecular Weight 254.23 g/mol
XLogP3 1.5
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 5
Rotatable Bond Count 2
Exact Mass 254.07545056 g/mol
Monoisotopic Mass 254.07545056 g/mol
Topological Polar Surface Area 46.5 Ų
Heavy Atom Count 18
Formal Charge 0
Complexity 534
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 10
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes