Butyric acid, 4-(2,3,5,6-tetramethylphenoxy)-
Basic information
- CAS
72462-88-5- Standard SMILES
Cc1cc(C)c(C)c(OCCCC(=O)O)c1C- InChIKey
VBSMNMBGLBSZMW-UHFFFAOYSA-N- Molecular formula
- C14H20O3
- Average molar mass
- 236.31 g/mol
- Monoisotopic mass
- 236.1412445
Names & identifiers
- Preferred name
- Butyric acid, 4-(2,3,5,6-tetramethylphenoxy)-
- IUPAC
- 4-(2,3,5,6-tetramethylphenoxy)butanoic acid
Names & synonyms
BRN 24592674-(2,3,5,6-Tetramethylphenoxy)butyric acidBUTYRIC ACID, 4-(2,3,5,6-TETRAMETHYLPHENOXY)-72462-88-5DTXSID60222766RefChem:331290DTXCID901452574-(2,3,5,6-tetramethylphenoxy)butanoic acid
Database identifiers
- CAS
72462-88-5- PubChem CID
- 51588
- DTXSID
DTXSID60222766- Nikkaji
- J67.409E
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 46.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 238
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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