514-67-0 Purity
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Specification
The molecular formula of 9-cis-retinal is C20H28O.
The molecular weight of 9-cis-retinal is 284.4 g/mol.
The IUPAC name of 9-cis-retinal is (2E,4E,6Z,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenal.
The InChI of 9-cis-retinal is InChI=1S/C20H28O/c1-16(8-6-9-17(2)13-15-21)11-12-19-18(3)10-7-14-20(19,4)5/h6,8-9,11-13,15H,7,10,14H2,1-5H3/b9-6+,12-11+,16-8-,17-13+.
The InChIKey of 9-cis-retinal is NCYCYZXNIZJOKI-MKOSUFFBSA-N.
The canonical SMILES of 9-cis-retinal is CC1=C(C(CCC1)(C)C)C=CC(=CC=CC(=CC=O)C)C.
There are 0 hydrogen bond donor counts in 9-cis-retinal.
There is 1 hydrogen bond acceptor count in 9-cis-retinal.
There are 5 rotatable bond counts in 9-cis-retinal.
The topological polar surface area of 9-cis-retinal is 17.1 ?2.