| CAS Number | 77161-85-4 |
| Catalog Number | AG01BA8K |
| Chemical Name | 4-(Tert-butoxy)butanoic acid |
| IUPAC Name | 4-[(2-methylpropan-2-yl)oxy]butanoic acid |
| InChI | InChI=1S/C8H16O3/c1-8(2,3)11-6-4-5-7(9)10/h4-6H2,1-3H3,(H,9,10) |
| InChI Key | VPQYEQPKLWDOHK-UHFFFAOYSA-N |
| MDL Number | MFCD10695770 |
| Molecular Formula | C8H16O3 |
| Molecular Weight | 160.2108 |
| SMILES | CC(OCCCC(O)=O)(C)C |
| Synonyms | 4-(tert-butoxy)butanoic acid,
77161-85-4,
SCHEMBL2311055,
ZINC34958096,
AKOS005200465,
|
| Complexity | 124 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 160.11g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 160.213g/mol |
| Monoisotopic Mass | 160.11g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 46.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number