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9-Cis-4-Hydroxyretinoic Acid

CAT: 1299-RM-R052002-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:1299-RM-R052002-01Size:10 mg
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CAS Number
150737-17-0
Synonyms
(2E,4E,6Z,8E) -9- (3-hydroxy-2,6,6-trimethylcyclohex-1-en-1-yl) -3,7-dimethylnona-2,4,6,8-tetraenoic acid
Molecular Formula
C20H28O3
Molecular Weight
316.43
Target Alternative Name
Tretinoin
Product Name Synonym
(2E,4E,6Z,8E) -9- (3-hydroxy-2,6,6-trimethylcyclohex-1-en-1-yl) -3,7-dimethylnona-2,4,6,8-tetraenoic acid

Chemical Information

9-Cis-4-hydroxyretinoic acid

9-cis-4-hydroxyretinoic acid is a retinoid that consists of 9-cis-retinoic acid bearing a hydroxy substituent at position 4 on the cyclohexenyl ring. It is a secondary allylic alcohol and a retinoid. It is functionally related to a 9-cis-retinoic acid. It is a conjugate acid of a 9-cis-4-hydroxyretinoate.

CAS Number150737-17-0
PubChem CID20849244
IUPAC Name(2E,4E,6Z,8E)-9-(3-hydroxy-2,6,6-trimethylcyclohexen-1-yl)-3,7-dimethylnona-2,4,6,8-tetraenoic acid
Molecular FormulaC20H28O3
Molecular Weight316.4
XLogP4.5
Topological Polar Surface Area57.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count5
Heavy Atom Count23
Formal Charge0
Complexity598
SMILES
CC1=C(C(CCC1O)(C)C)/C=C/C(=C\C=C\C(=C\C(=O)O)\C)/C
InChI
InChI=1S/C20H28O3/c1-14(7-6-8-15(2)13-19(22)23)9-10-17-16(3)18(21)11-12-20(17,4)5/h6-10,13,18,21H,11-12H2,1-5H3,(H,22,23)/b8-6+,10-9+,14-7-,15-13+
InChIKey
KGUMXGDKXYTTEY-NAXRMXIQSA-N
Chemical Structure
2D Structure
2D structure of 9-Cis-4-hydroxyretinoic acid
CAS: 150737-17-0
CID: 20849244
Formula: C20H28O3
MW: 316.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight316.4
XLogP34.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count5
Exact Mass316.20384475
Monoisotopic Mass316.20384475
Topological Polar Surface Area57.5 Ų
Heavy Atom Count23
Formal Charge0
Complexity598
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count4
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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