Basic information
- CAS
72462-84-1- Standard SMILES
CCC(Oc1c(C)c(C)cc(C)c1C)C(=O)O- InChIKey
FNGSDSOBXYHUFK-UHFFFAOYSA-N- Molecular formula
- C14H20O3
- Average molar mass
- 236.31 g/mol
- Monoisotopic mass
- 236.1412445
Names & identifiers
- Preferred name
- Butyric acid, 2-(2,3,5,6-tetramethylphenoxy)-
- IUPAC
- 2-(2,3,5,6-tetramethylphenoxy)butanoic acid
Names & synonyms
BUTYRIC ACID, 2-(2,3,5,6-TETRAMETHYLPHENOXY)-72462-84-1RefChem:10804522-(2,3,5,6-Tetramethylphenoxy)butyric acidBRN 24622842-(2,3,5,6-tetramethylphenoxy)butanoic acidDTXSID10993272
Database identifiers
- CAS
72462-84-1- PubChem CID
- 51586
- DTXSID
DTXSID10993272- Nikkaji
- J67.408G
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 46.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 250
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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