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Retinaloxime

CAT: 0013-GTR19192923-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19192923-02Size:50 mg
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Description
Retinaloxime
CAS Number
17672-05-8
Smiles
C\C (\C=C\C=C (/C) \C=C\C1=C (C) CCCC1 (C) C) =C/C=NO |w:20.21, c:9|
Molecular Formula
C20H29NO
Molecular Weight
299.458
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Retinaloxime
CAS Number17672-05-8
PubChem CID9614889
IUPAC Name(NE)-N-[(2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenylidene]hydroxylamine
Molecular FormulaC20H29NO
Molecular Weight299.4
XLogP6.5
Topological Polar Surface Area32.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count5
Heavy Atom Count22
Formal Charge0
Complexity554
SMILES
CC1=C(C(CCC1)(C)C)/C=C/C(=C/C=C/C(=C/C=N/O)/C)/C
InChI
InChI=1S/C20H29NO/c1-16(8-6-9-17(2)13-15-21-22)11-12-19-18(3)10-7-14-20(19,4)5/h6,8-9,11-13,15,22H,7,10,14H2,1-5H3/b9-6+,12-11+,16-8+,17-13+,21-15+
InChIKey
UZIJYWXMEFEGMI-HUQYSEFFSA-N
Chemical Structure
2D Structure
2D structure of Retinaloxime
CAS: 17672-05-8
CID: 9614889
Formula: C20H29NO
MW: 299.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight299.4
XLogP36.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count5
Exact Mass299.224914549
Monoisotopic Mass299.224914549
Topological Polar Surface Area32.6 Ų
Heavy Atom Count22
Formal Charge0
Complexity554
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count5
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
MBS5783806Retinaloxime

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