469875-71-6
Product Name:
[4-[(Z)-2-cyano-3-methoxy-3-oxoprop-1-enyl]-2-methoxyphenyl] 3,4,5-trimethoxybenzoate
Formula:
C22H21NO8
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COMPUTED DESCRIPTORS
| Molecular Weight | 427.4 g/mol |
|---|---|
| XLogP3 | 3.4 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 9 |
| Rotatable Bond Count | 10 |
| Exact Mass | 427.12671663 g/mol |
| Monoisotopic Mass | 427.12671663 g/mol |
| Topological Polar Surface Area | 113 Ų |
| Heavy Atom Count | 31 |
| Formal Charge | 0 |
| Complexity | 685 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |