| CAS Number | 66667-02-5 |
| Catalog Number | AG01A2FN |
| Chemical Name | 2-(Tert-butoxy)-2-phenylacetic acid |
| IUPAC Name | 2-[(2-methylpropan-2-yl)oxy]-2-phenylacetic acid |
| InChI | InChI=1S/C12H16O3/c1-12(2,3)15-10(11(13)14)9-7-5-4-6-8-9/h4-8,10H,1-3H3,(H,13,14) |
| InChI Key | YPCKHPPKPKEHMI-UHFFFAOYSA-N |
| MDL Number | MFCD08436972 |
| Molecular Formula | C12H16O3 |
| Molecular Weight | 208.2536 |
| SMILES | CC(OC(C1=CC=CC=C1)C(O)=O)(C)C |
| Synonyms | 2-(tert-butoxy)-2-phenylacetic acid,
66667-02-5,
2-tert-butoxy-(2-phenyl)acetic acid,
SCHEMBL8080541,
NE27629,
|
| Complexity | 211 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 208.109944g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 208.25g/mol |
| Monoisotopic Mass | 208.109944g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 46.5Ų |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number