Structure

9-Cis-Retinal

CAS
514-85-2
Catalog Number
ACM514852
Category
Other Products
Molecular Weight
284.44
Molecular Formula
C20H28O

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Specification

Synonyms
6-CIS-VITAMIN A ALDEHYDE;9-CIS-RETINAL;9-cis-3,7-dimethyl-9-(2,6,6-trimethyl-1-cyclohexen-1-yl)-2,4,6,8-nonatetraen;9-cis-3,7-Dimethyl-9-(2,6,6-trimethyl-1-cyclohexen-1-yl)-2,4,6,8-nonatetraenal;9-cis-Retinaldehyde;9-cis-Vitamin A Aldehyde;9-cis-vitaminaaldehyde;Isoretinene a
Melting Point
56-58°C(lit.)
Hazard Statements
Xn
Safety Description
22-36/37
Supplemental Hazard Statements
H302-H312-H315-H332
Symbol
GHS07
What is the molecular formula of 9-cis-retinal?

The molecular formula of 9-cis-retinal is C20H28O.

What is the molecular weight of 9-cis-retinal?

The molecular weight of 9-cis-retinal is 284.4 g/mol.

What is the IUPAC name of 9-cis-retinal?

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.

What is the InChI of 9-cis-retinal?

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+.

What is the InChIKey of 9-cis-retinal?

The InChIKey of 9-cis-retinal is NCYCYZXNIZJOKI-MKOSUFFBSA-N.

What is the canonical SMILES of 9-cis-retinal?

The canonical SMILES of 9-cis-retinal is CC1=C(C(CCC1)(C)C)C=CC(=CC=CC(=CC=O)C)C.

How many hydrogen bond donor counts are there in 9-cis-retinal?

There are 0 hydrogen bond donor counts in 9-cis-retinal.

How many hydrogen bond acceptor counts are there in 9-cis-retinal?

There is 1 hydrogen bond acceptor count in 9-cis-retinal.

How many rotatable bond counts are there in 9-cis-retinal?

There are 5 rotatable bond counts in 9-cis-retinal.

What is the topological polar surface area of 9-cis-retinal?

The topological polar surface area of 9-cis-retinal is 17.1 ?2.

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