151646-59-2
Product Name:
4-HYDROXY-4-(3-NITRO-PHENYL)-2-OXO-BUT-3-ENOIC ACID METHYL ESTER
Formula:
C11H9NO6
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COMPUTED DESCRIPTORS
| Molecular Weight | 251.19 g/mol |
|---|---|
| XLogP3 | 1.9 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 4 |
| Exact Mass | 251.04298701 g/mol |
| Monoisotopic Mass | 251.04298701 g/mol |
| Topological Polar Surface Area | 109 Ų |
| Heavy Atom Count | 18 |
| Formal Charge | 0 |
| Complexity | 384 |
| 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 | 1 |
| Compound Is Canonicalized | Yes |