173469-85-7
Product Name:
4H-1-Benzopyran-6-acetic acid, 2-(4-chlorophenyl)-alpha-ethyl-3-methox y-4-oxo-, methyl ester
Formula:
C21H19ClO5
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COMPUTED DESCRIPTORS
| Molecular Weight | 386.8 g/mol |
|---|---|
| XLogP3 | 4.7 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 6 |
| Exact Mass | 386.0921014 g/mol |
| Monoisotopic Mass | 386.0921014 g/mol |
| Topological Polar Surface Area | 61.8 Ų |
| Heavy Atom Count | 27 |
| Formal Charge | 0 |
| Complexity | 593 |
| 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 |