9-cis-Retinoic acid

Chemical Information
9-cis-retinoic acid is a retinoic acid in which the exocyclic double bonds have 7E,9Z,11E,13E geometry. It has a role as a metabolite, an antineoplastic agent, a keratolytic drug and a retinoid X receptor agonist. It is a conjugate acid of a 9-cis-retinoate.
| CAS Number | 5300-03-8 |
| PubChem CID | 449171 |
| IUPAC Name | (2E,4E,6Z,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenoic acid |
| Molecular Formula | C20H28O2 |
| Molecular Weight | 300.4 |
| XLogP | 6.3 |
| Topological Polar Surface Area | 37.3 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 5 |
| Heavy Atom Count | 22 |
| Formal Charge | 0 |
| Complexity | 567 |
| Property | Value |
|---|---|
| Molecular Weight | 300.4 |
| XLogP3 | 6.3 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 5 |
| Exact Mass | 300.208930132 |
| Monoisotopic Mass | 300.208930132 |
| Topological Polar Surface Area | 37.3 Ų |
| Heavy Atom Count | 22 |
| Formal Charge | 0 |
| Complexity | 567 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 4 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |
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