3-(4-Chloro-3-methylphenoxy)-2-hydroxypropanoic acid
Basic information
- CAS
5254-14-8- Standard SMILES
Cc1cc(OCC(O)C(=O)O)ccc1Cl- InChIKey
JRRHQZOTXUGITB-UHFFFAOYSA-N- Molecular formula
- C10H11ClO4
- Average molar mass
- 230.64 g/mol
- Monoisotopic mass
- 230.0345865
Names & identifiers
- Preferred name
- 3-(4-Chloro-3-methylphenoxy)-2-hydroxypropanoic acid
- IUPAC
- 3-(4-chloro-3-methylphenoxy)-2-hydroxypropanoic acid
Names & synonyms
5254-14-8NSC5187083-(4-chloro-3-methylphenoxy)-2-hydroxypropanoic acidDTXSID60325802NSC-518708
Database identifiers
- CAS
5254-14-8- PubChem CID
- 351097
- DTXSID
DTXSID60325802
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 66.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 221
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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