331857-94-4
Product Name:
6,6-dimethyl-2-nitro-3-phenyl-2,3,5,7-tetrahydro-1-benzofuran-4-one
Formula:
C16H17NO4
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COMPUTED DESCRIPTORS
| Molecular Weight | 287.31 g/mol |
|---|---|
| XLogP3 | 2.8 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 1 |
| Exact Mass | 287.11575802 g/mol |
| Monoisotopic Mass | 287.11575802 g/mol |
| Topological Polar Surface Area | 72.1 Ų |
| Heavy Atom Count | 21 |
| Formal Charge | 0 |
| Complexity | 497 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 2 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |