3267-40-1
Product Name:
5-[(2,3,6-Trichlorophenyl)[3-methyl-4-oxo-5-(sodiooxycarbonyl)-2,5-cyclohexadien-1-ylidene]methyl]-2-hydroxy-3-methylbenzoic acid sodium salt
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COMPUTED DESCRIPTORS
| Molecular Weight | 537.7 g/mol |
|---|---|
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 3 |
| Exact Mass | 535.957310 g/mol |
| Monoisotopic Mass | 535.957310 g/mol |
| Topological Polar Surface Area | 118 Ų |
| Heavy Atom Count | 34 |
| Formal Charge | 0 |
| Complexity | 902 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 1 |
| Covalently-Bonded Unit Count | 3 |
| Compound Is Canonicalized | Yes |