136587-00-3
Product Name:
DI-T-BUTYL 4-[2-(T-BUTOXYCARBONYL)ETHYL]-4-NITROHEPTANEDICARBOXYLATE
Formula:
C22H39NO8
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COMPUTED DESCRIPTORS
Molecular Weight | 445.5 g/mol |
---|---|
XLogP3 | 3.4 |
Hydrogen Bond Donor Count | 0 |
Hydrogen Bond Acceptor Count | 8 |
Rotatable Bond Count | 15 |
Exact Mass | 445.26756720 g/mol |
Monoisotopic Mass | 445.26756720 g/mol |
Topological Polar Surface Area | 125 Ų |
Heavy Atom Count | 31 |
Formal Charge | 0 |
Complexity | 566 |
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 |