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Cinerin II

CAT: 0024-sc-214724Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0024-sc-214724Size:10 mg
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CAS Number
121-20-0

Chemical Information

cinerin II

Cinerin II is a methyl ester and a member of pyrethrins.

CAS Number121-20-0
PubChem CID5281548
IUPAC Namecis-[(1S)-3-[(Z)-but-2-enyl]-2-methyl-4-oxocyclopent-2-en-1-yl] (1R,3R)-3-[(E)-3-methoxy-2-methyl-3-oxoprop-1-enyl]-2,2-dimethylcyclopropane-1-carboxylate
Molecular FormulaC21H28O5
Molecular Weight360.4
XLogP4
Topological Polar Surface Area69.7
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count5
Rotatable Bond Count8
Heavy Atom Count26
Formal Charge0
Complexity708
SMILES
C/C=C\CC1=C([C@H](CC1=O)OC(=O)[C@@H]2[C@H](C2(C)C)/C=C(\C)/C(=O)OC)C
InChI
InChI=1S/C21H28O5/c1-7-8-9-14-13(3)17(11-16(14)22)26-20(24)18-15(21(18,4)5)10-12(2)19(23)25-6/h7-8,10,15,17-18H,9,11H2,1-6H3/b8-7-,12-10+/t15-,17+,18+/m1/s1
InChIKey
SHCRDCOTRILILT-WOBDGSLYSA-N
Chemical Structure
2D Structure
2D structure of cinerin II
CAS: 121-20-0
CID: 5281548
Formula: C21H28O5
MW: 360.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight360.4
XLogP34
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count5
Rotatable Bond Count8
Exact Mass360.19367399
Monoisotopic Mass360.19367399
Topological Polar Surface Area69.7 Ų
Heavy Atom Count26
Formal Charge0
Complexity708
Isotope Atom Count0
Defined Atom Stereocenter Count3
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count2
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
CS-T-51138Cinerin II
HY-W777612Cinerin I
TRC-J210495-5MGJasmolin I + Cinerin I (Mixture)
452840-01Jasmolin II+ Cinerin II + Pyrethrin II (Mixture) discontinued

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