302543-78-8
Product Name:
alpha-Methyl-4-(2-methylpropyl)-2-methoxy-4-[(1E)-3-[4-(nitrooxy)butoxyl]-3-oxo-1-propenyl]phenyl ester, benzeneacetic acid
Formula:
C27H33NO8
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COMPUTED DESCRIPTORS
| Molecular Weight | 499.6 g/mol |
|---|---|
| XLogP3 | 6.7 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 8 |
| Rotatable Bond Count | 15 |
| Exact Mass | 499.22061701 g/mol |
| Monoisotopic Mass | 499.22061701 g/mol |
| Topological Polar Surface Area | 117 Ų |
| Heavy Atom Count | 36 |
| Formal Charge | 0 |
| Complexity | 711 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |