| CAS Number | 3555-80-4 |
| Catalog Number | AG00C9XF(AGN-PC-0RB2Q9) |
| Chemical Name | 11-cis,13-cis-Retinoic Acid >90% |
| IUPAC Name | (2Z,4Z,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenoic acid |
| InChI | InChI=1S/C20H28O2/c1-15(8-6-9-16(2)14-19(21)22)11-12-18-17(3)10-7-13-20(18,4)5/h6,8-9,11-12,14H,7,10,13H2,1-5H3,(H,21,22)/b9-6-,12-11+,15-8+,16-14- |
| InChI Key | SHGAZHPCJJPHSC-SMMNRBFNSA-N |
| MDL Number | MFCD12031400 |
| Molecular Formula | C20H28O2 |
| Molecular Weight | 300.4351 |
| SMILES | CC(=CC(=O)O)C=C/C=C(C)/C=C/C1=C(C)CCCC1(C)C |
| Synonyms | 3555-80-4,
11,13-Di-cis-retinoic Acid,
SCHEMBL13238976,
ZINC5456939,
ACM3555804,
(11-CIS,13-CIS)-RETINOIC ACID,
11-cis,13-cis-,
Isotretinoin Retinoic acid,
SHGAZHPCJJPHSC-SMMNRBFNSA-N,
CID10881132,
|
| Complexity | 567 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 4 |
| Exact Mass | 300.209g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 22 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 300.442g/mol |
| Monoisotopic Mass | 300.209g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 37.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 6.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number