188263-75-4
Product Name:
ALPHA-[[[2,5-BIS(1,1-DIMETHYLETHYL)-4-HYDROXYPHENOXY]CARBONYL]OXY]-2-NITRO-BENZENEACETIC ACID
Formula:
C23H27NO8
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COMPUTED DESCRIPTORS
Molecular Weight | 445.5 g/mol |
---|---|
XLogP3 | 6.2 |
Hydrogen Bond Donor Count | 2 |
Hydrogen Bond Acceptor Count | 8 |
Rotatable Bond Count | 8 |
Exact Mass | 445.17366682 g/mol |
Monoisotopic Mass | 445.17366682 g/mol |
Topological Polar Surface Area | 139 Ų |
Heavy Atom Count | 32 |
Formal Charge | 0 |
Complexity | 690 |
Isotope Atom Count | 0 |
Defined Atom Stereocenter Count | 0 |
Undefined Atom Stereocenter Count | 1 |
Defined Bond Stereocenter Count | 0 |
Undefined Bond Stereocenter Count | 0 |
Covalently-Bonded Unit Count | 1 |
Compound Is Canonicalized | Yes |