16281-39-3
Product Name:
5-CHLORO-3,4-DIHYDRO-8-HYDROXY-3-METHYL-1H-2-BENZOPYRAN-1-ONE-7-CARBOXYLIC ACID
Formula:
C11H9ClO5
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COMPUTED DESCRIPTORS
| Molecular Weight | 256.64 g/mol |
|---|---|
| XLogP3 | 3.4 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 1 |
| Exact Mass | 256.0138511 g/mol |
| Monoisotopic Mass | 256.0138511 g/mol |
| Topological Polar Surface Area | 83.8 Ų |
| Heavy Atom Count | 17 |
| Formal Charge | 0 |
| Complexity | 345 |
| 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 |