339098-54-3
Product Name:
5,5-DIMETHYL-3-OXO-2-[(PHENYLSULFONYL)METHYL]-1-CYCLOHEXENYL 4-METHYLBENZENECARBOXYLATE
Formula:
C23H24O5S
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COMPUTED DESCRIPTORS
Molecular Weight | 412.5 g/mol |
---|---|
XLogP3 | 4 |
Hydrogen Bond Donor Count | 0 |
Hydrogen Bond Acceptor Count | 5 |
Rotatable Bond Count | 6 |
Exact Mass | 412.13444504 g/mol |
Monoisotopic Mass | 412.13444504 g/mol |
Topological Polar Surface Area | 85.9 Ų |
Heavy Atom Count | 29 |
Formal Charge | 0 |
Complexity | 758 |
Isotope Atom Count | 0 |
Defined Atom Stereocenter Count | 0 |
Undefined Atom Stereocenter Count | 0 |
Defined Bond Stereocenter Count | 0 |
Undefined Bond Stereocenter Count | 0 |
Covalently-Bonded Unit Count | 1 |
Compound Is Canonicalized | Yes |