2-(3,4,5-Trimethylphenoxy)acetic acid
Basic information
- CAS
7507-33-7- Standard SMILES
Cc1cc(OCC(=O)O)cc(C)c1C- InChIKey
OHPHAQNDYLZPQX-UHFFFAOYSA-N- Molecular formula
- C11H14O3
- Average molar mass
- 194.23 g/mol
- Monoisotopic mass
- 194.0942943
Names & identifiers
- Preferred name
- 2-(3,4,5-Trimethylphenoxy)acetic acid
- IUPAC
- 2-(3,4,5-trimethylphenoxy)acetic acid
Names & synonyms
7507-33-72-(3,4,5-trimethylphenoxy)acetic acidNSC407965SCHEMBL13603769DTXSID90324909(3,4,5-Trimethylphenoxy)acetic acidNSC-407965
Database identifiers
- CAS
7507-33-7- PubChem CID
- 348582
- DTXSID
DTXSID90324909
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 46.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 191
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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