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Molecule
Permethric Acid
CAS: 55701-05-8 · C8H10Cl2O2
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 55701-05-8
- Molecular Formula
- C8H10Cl2O2
- Molecular Mass
- 209.07 g/mol
Identifiers
CAS Registry Number
55701-05-8
SMILES
CC1(C)C(C=C(Cl)Cl)C1C(=O)O
InChI Key
LLMLSUSAKZVFOA-UHFFFAOYSA-N
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)
Names and Synonyms
- Permethric Acid Synonym
- Cyclopropanecarboxylic acid, 3-(2,2-dichloroethenyl)-2,2-dimethyl- Synonym
- Cyclopropanecarboxylic acid, 3-(2,2-dichlorovinyl)-2,2-dimethyl- Synonym
- 3-(2,2-Dichloroethenyl)-2,2-dimethylcyclopropanecarboxylic acid Synonym
- Permethric acid Synonym
- DV-chrysanthemic acid Synonym
- 3-(2,2-Dichlorovinyl)-2,2-dimethylcyclopropanecarboxylic acid Synonym
- Permethrinic acid Synonym
- 3-(2,2-Dichlorovinyl)-2,2-dimethylcyclopropylcarboxylic acid Synonym
- 2,2-Dimethyl-3-(2,2-dichlorovinyl)cyclopropanecarboxylic acid Synonym
- 2-(2,2-Dichlorovinyl)-3,3-dimethylcyclopropanecarboxylic acid Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 209.07 g/mol | CAS Common Chemistry |
| 209.072 g/mol | RDKit | |
| 209.066 g/mol | chempirical lib | |
| Boiling Point | 92-94.5 °C | CAS Common Chemistry |
| Canonical SMILES | O=C(O)C1C(C=C(Cl)Cl)C1(C)C | CAS Common Chemistry |
| 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) | CAS Common Chemistry |
| InChI Key | InChIKey=LLMLSUSAKZVFOA-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 58.33 °C | CAS Common Chemistry |
| Name | Permethric acid | CAS Common Chemistry |
| Heavy Atom Count | 12 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 2 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 37.3 Ų | RDKit |
| LogP | 2.6622000000000003 | RDKit |
| 2.6622 | RDKit | |
| Molar Refractivity | 48.185800000000015 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.625 | RDKit |
| 0.62 | chempirical lib | |
| Exact Mass | 208.00578492 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
9
8
7
6
5
4
3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
80
60
40
20
0 ppm
| Shift (ppm) | DEPT | Assignment |
|---|
Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
External Resources
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MW = 209.07 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C8H10Cl2O2.
