338759-52-7
Product Name:
2H-1-Benzopyran-3-carboxylic acid, 6-chloro-, butyl ester
Formula:
C14H15ClO3
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COMPUTED DESCRIPTORS
| Molecular Weight | 266.72 g/mol |
|---|---|
| XLogP3 | 3.7 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 5 |
| Exact Mass | 266.0709720 g/mol |
| Monoisotopic Mass | 266.0709720 g/mol |
| Topological Polar Surface Area | 35.5 Ų |
| Heavy Atom Count | 18 |
| Formal Charge | 0 |
| Complexity | 327 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |