| CAS Number | 1099046-07-7 |
| Catalog Number | AG01A0WX |
| Chemical Name | 4-(4-tert-butyl-2-methylphenoxy)butanoic acid |
| IUPAC Name | 4-(4-tert-butyl-2-methylphenoxy)butanoic acid |
| InChI | InChI=1S/C15H22O3/c1-11-10-12(15(2,3)4)7-8-13(11)18-9-5-6-14(16)17/h7-8,10H,5-6,9H2,1-4H3,(H,16,17) |
| InChI Key | DBENJXOKYASJSU-UHFFFAOYSA-N |
| MDL Number | MFCD11549133 |
| Molecular Formula | C15H22O3 |
| Molecular Weight | 250.3334 |
| SMILES | CC1=C(OCCCC(O)=O)C=CC(C(C)(C)C)=C1 |
| Synonyms | 4-(4-tert-butyl-2-methylphenoxy)butanoic acid,
1099046-07-7,
ZINC37116955,
AKOS009371700,
MCULE-7426601116,
NE45003,
Z1436472933,
|
| Complexity | 267 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 250.157g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 250.338g/mol |
| Monoisotopic Mass | 250.157g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 46.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number