Trans-Retinoic Acid

CAT: 1489-A9120Size: 5 gDry Ice: NoHazardous: No

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CAT#:1489-A9120Size:5 g

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CAS Number

302-79-4

Purity

Assay≥98.0%.

Chemical Information

Retinoic Acid

All-trans Retinoic Acid can cause developmental toxicity according to an independent committee of scientific and health experts.

CAS Number	302-79-4
PubChem CID	444795
IUPAC Name	(2E,4E,6E,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

SMILES

CC1=C(C(CCC1)(C)C)/C=C/C(=C/C=C/C(=C/C(=O)O)/C)/C

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+

InChIKey

SHGAZHPCJJPHSC-YCNIQYBTSA-N

Chemical Structure

2D Structure

CAS: 302-79-4

CID: 444795

Formula: C20H28O2

MW: 300.4

Interactive 3D Structure

Loading 3D structure...

Computed Properties

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 Å²
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

Catalog	Name
T9590	Trans-Ferulic Acid
C9560-01	Trans-Cinnamic Acid
C9380	Trans-4-Hydroxycinnamic Acid
T2650-01	Trans, Trans-Farnesol
T8280	Trans-Anethole
T8110-01	Trans-Zeatin
C9430	Trans-Chalcone
T8111	Trans-Zeatin
T8112	Trans-zeatin
O1180-01	4-Oxo-Cyclopentane-Trans-1,2-Dicarboxylic Acid Dimethyl Ester

Catalog	Name
TRC-R250200-50MG	all-trans-Retinoic Acid
MBS696338-01	All-Trans Retinoic Acid
BML-GR100-5000	Retinoic acid, all trans
sc-217605A	All-trans Retinoic Acid-d5
R1690-01E-01	Retinoic Acid (all-trans Retinoic Acid, Vitamin A Acid, ATRA, Tretinoin)
R00880-01	All-trans-Retinoic acid 98%
TRC-K204980-5MG	all-trans 4-Keto Retinoic Acid
R1690-02C	All-trans Retinoic Acid Methyl Ester
TRC-H953340-50MG	all-trans-18-Hydroxy Retinoic Acid
CS-O-10364	4-oxo-all trans retinoic acid