96566-14-2
Product Name:
2H-1-BENZOPYRAN-2-CARBOXYLIC ACID, 3,4-DIHYDRO-7-HYDROXY, ETHYL ESTER
Formula:
C12H14O4
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COMPUTED DESCRIPTORS
| Molecular Weight | 222.24 g/mol |
|---|---|
| XLogP3 | 2.3 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 3 |
| Exact Mass | 222.08920892 g/mol |
| Monoisotopic Mass | 222.08920892 g/mol |
| Topological Polar Surface Area | 55.8 Ų |
| Heavy Atom Count | 16 |
| Formal Charge | 0 |
| Complexity | 253 |
| 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 |