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1S-cis-Decamethrinic Acid

CAT: 0024-sc-499945Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0024-sc-499945Size:5 mg
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CAS Number
72691-18-0

Chemical Information

3-(2,2-Dibromovinyl)-2,2-dimethylcyclopropane-1-carboxylic acid

urinary metabolite of insectiside, deltamethrin

CAS Number72691-18-0
PubChem CID181248
IUPAC Name3-(2,2-dibromoethenyl)-2,2-dimethylcyclopropane-1-carboxylic acid
Molecular FormulaC8H10Br2O2
Molecular Weight297.97
XLogP3.4
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(C1C(=O)O)C=C(Br)Br)C
InChI
InChI=1S/C8H10Br2O2/c1-8(2)4(3-5(9)10)6(8)7(11)12/h3-4,6H,1-2H3,(H,11,12)
InChIKey
MDIQXIJPQWLFSD-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 3-(2,2-Dibromovinyl)-2,2-dimethylcyclopropane-1-carboxylic acid
CAS: 72691-18-0
CID: 181248
Formula: C8H10Br2O2
MW: 297.97
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight297.97
XLogP33.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Exact Mass297.90271
Monoisotopic Mass295.90475
Topological Polar Surface Area37.3 Ų
Heavy Atom Count12
Formal Charge0
Complexity241
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count2
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
1590491S-cis-Decamethrinic Acid
TRC-D212410-250MG(1S-trans)-Decamethrinic Acid
159050(1S-trans) -Decamethrinic Acid
TRC-D212400-100MG(1R-cis)-Decamethrinic Acid
412668-01(1S-cis) -Cyhalothric Acid
412455-01(1R-trans) -Decamethrinic Acid
OR307145-01(1S,3R) -cis-3-Carbomethoxy cyclopentane-1-carboxylic acid
OR1012666-01Cis Cis-Muconic Acid
C6988-1000cis,cis-Muconic acid
HY-W000800-01Cis, cis-Muconic acid

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