Basic information
- CAS
29990-39-4- Standard SMILES
O=C(O)CCOc1cc(Cl)c(Cl)cc1Cl- InChIKey
TZMWJEKNHBCUKP-UHFFFAOYSA-N- Molecular formula
- C9H7Cl3O3
- Average molar mass
- 269.5 g/mol
- Monoisotopic mass
- 267.946077
Names & identifiers
- Preferred name
- 3-(2,4,5-Trichlorophenoxy)propanoic acid
- IUPAC
- 3-(2,4,5-trichlorophenoxy)propanoic acid
- English name
- 3-(2,4,5-TRICHLOROPHENOXY)PROPANOIC ACID
- Molecular formula
- C9H7Cl3O3
- Molecular weight
- 269.51
Names & synonyms
3-(2,4,5-trichlorophenoxy)propanoic acid582-53-629990-39-4AI3-52420Propionic acid, (2,4,5-trichlorophenoxy)-Propanoic acid, 3-(2,4,5-trichlorophenoxy)-AJ-087/41885621SCHEMBL6288400DTXSID50952404TZMWJEKNHBCUKP-UHFFFAOYSA-NMFCD000459422,4-,5-trichlorophenoxypropionic acid
Show more names
AKOS0001309433-(2,4,5-trichlorophenoxy)propanoicacidAS-64382CS-0331716D93062F729729
Database identifiers
- CAS
29990-39-4、582-53-6- PubChem CID
- 68491
- DTXSID
DTXSID50952404- Nikkaji
- J201.353C
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 46.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 225
Physicochemical properties
- Melting point
- 142 · 142-144 °C(Solv: benzene (71-43-2); ligroine (8032-32-4))
- Boiling point
- 368.7 · 368.7±37.0 °C(Predicted)
- Density
- 1.523 · 1.523±0.06 g/cm3(Predicted)
- pka
- 4.08 · 4.08±0.10(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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