313270-81-4
Product Name:
DIETHYL 2-(4-ETHOXYPHENYL)-4-HYDROXY-4-METHYL-6-OXOCYCLOHEXANE-1,3-DICARBOXYLATE
Formula:
C21H28O7
Inquiry
COMPUTED DESCRIPTORS
Molecular Weight | 392.4 g/mol |
---|---|
XLogP3 | 2.6 |
Hydrogen Bond Donor Count | 1 |
Hydrogen Bond Acceptor Count | 7 |
Rotatable Bond Count | 9 |
Exact Mass | 392.18350323 g/mol |
Monoisotopic Mass | 392.18350323 g/mol |
Topological Polar Surface Area | 99.1 Ų |
Heavy Atom Count | 28 |
Formal Charge | 0 |
Complexity | 567 |
Isotope Atom Count | 0 |
Defined Atom Stereocenter Count | 0 |
Undefined Atom Stereocenter Count | 4 |
Defined Bond Stereocenter Count | 0 |
Undefined Bond Stereocenter Count | 0 |
Covalently-Bonded Unit Count | 1 |
Compound Is Canonicalized | Yes |