88580-86-3
Product Name:
2(3H)-Benzofuranone, hexahydro-4-hydroxy-3a-methyl-6-(1-methylethenyl)-, [3aS-(3aα,4α,6α,7aα)]- (9CI)
Formula:
C12H18O3
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COMPUTED DESCRIPTORS
| Molecular Weight | 210.27 g/mol |
|---|---|
| XLogP3 | 1.9 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 1 |
| Exact Mass | 210.125594432 g/mol |
| Monoisotopic Mass | 210.125594432 g/mol |
| Topological Polar Surface Area | 46.5 Ų |
| Heavy Atom Count | 15 |
| Formal Charge | 0 |
| Complexity | 310 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 4 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |