162256-50-0
Product Name:
CI 1020
Formula:
C28H26O9
Synonyms:
α-[2-(4-Methoxyphenyl)-2-oxo-1-[(3,4,5-trimethoxyphenyl)methyl]ethylidene]-1,3-benzodioxole-5-acetic acid sodium salt
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COMPUTED DESCRIPTORS
| Molecular Weight | 506.5 g/mol |
|---|---|
| XLogP3 | 4 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 9 |
| Rotatable Bond Count | 8 |
| Exact Mass | 506.15768240 g/mol |
| Monoisotopic Mass | 506.15768240 g/mol |
| Topological Polar Surface Area | 102 Ų |
| Heavy Atom Count | 37 |
| Formal Charge | 0 |
| Complexity | 824 |
| 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 |