Dimethylammonium 2-(2,4,5-trichlorophenoxy)propionate
Basic information
- CAS
55617-85-1- Standard SMILES
CC(Oc1cc(Cl)c(Cl)cc1Cl)C(=O)[O-].C[NH2+]C- InChIKey
IOLPQKZYGWAYQO-UHFFFAOYSA-N- Molecular formula
- C11H14Cl3NO3
- Average molar mass
- 314.6 g/mol
- Monoisotopic mass
- 313.003926
Names & identifiers
- Preferred name
- Dimethylammonium 2-(2,4,5-trichlorophenoxy)propionate
- IUPAC
- dimethylazanium;2-(2,4,5-trichlorophenoxy)propanoate
Names & synonyms
55617-85-1Dimethylammonium 2-(2,4,5-trichlorophenoxy)propionateSHO4SI427OUNII-SHO4SI427OEINECS 259-723-7DB-243439NS00087560
Database identifiers
- CAS
55617-85-1- PubChem CID
- 41484
- EC Number
- 259-723-7
Properties
Computed structural properties
- Topological polar surface area
- 66 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 234
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Compound notes
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