521-81-3
Product Name:
1-Phenanthreneacetic acid, 2-carboxy-1,2,3,4,4a,9,10,10a-octahydro-7-hydroxy-2-methyl-, (1S,2S,4aS,10aR)-
Formula:
C18H22O5
Inquiry
COMPUTED DESCRIPTORS
| Molecular Weight | 318.4 g/mol |
|---|---|
| XLogP3 | 2.8 |
| Hydrogen Bond Donor Count | 3 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 3 |
| Exact Mass | 318.14672380 g/mol |
| Monoisotopic Mass | 318.14672380 g/mol |
| Topological Polar Surface Area | 94.8 Ų |
| Heavy Atom Count | 23 |
| Formal Charge | 0 |
| Complexity | 490 |
| 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 |