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1R-trans-Permethrinic Acid

CAT: 0024-sc-478470ASize: 10 gDry Ice: NoHazardous: No
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CAT#:0024-sc-478470ASize:10 g
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CAS Number
55701-03-6

Chemical Information

(1R,3S)-3-(2,2-Dichloroethenyl)-2,2-dimethylcyclopropanecarboxylic acid
CAS Number55701-03-6
PubChem CID180526
IUPAC Namecis-(1R,3S)-3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropane-1-carboxylic acid
Molecular FormulaC8H10Cl2O2
Molecular Weight209.07
XLogP3.3
Topological Polar Surface Area37.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Heavy Atom Count12
Formal Charge0
Complexity241
SMILES
CC1([C@@H]([C@H]1C(=O)O)C=C(Cl)Cl)C
InChI
InChI=1S/C8H10Cl2O2/c1-8(2)4(3-5(9)10)6(8)7(11)12/h3-4,6H,1-2H3,(H,11,12)/t4-,6+/m1/s1
InChIKey
LLMLSUSAKZVFOA-XINAWCOVSA-N
Chemical Structure
2D Structure
2D structure of (1R,3S)-3-(2,2-Dichloroethenyl)-2,2-dimethylcyclopropanecarboxylic acid
CAS: 55701-03-6
CID: 180526
Formula: C8H10Cl2O2
MW: 209.07
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight209.07
XLogP33.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Exact Mass208.0057849
Monoisotopic Mass208.0057849
Topological Polar Surface Area37.3 Ų
Heavy Atom Count12
Formal Charge0
Complexity241
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
CS-T-847231R-trans-Permethrinic Acid
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FCA701091S-Trans-permethrinic acid
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444765(+) -cis-Permethrinic Acid
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