| CAS Number | 1955494-78-6 |
| Catalog Number | AG01C6KG |
| Chemical Name | 2-(tert-Butyl carboxy)-3,3-dimethylbutanoic acid |
| IUPAC Name | 3,3-dimethyl-2-[(2-methylpropan-2-yl)oxycarbonyl]butanoic acid |
| InChI | InChI=1S/C11H20O4/c1-10(2,3)7(8(12)13)9(14)15-11(4,5)6/h7H,1-6H3,(H,12,13) |
| InChI Key | QFXNKBXOFLOXRG-UHFFFAOYSA-N |
| MDL Number | MFCD29991521 |
| Molecular Formula | C11H20O4 |
| Molecular Weight | 216.2741 |
| SMILES | CC(OC(C(C(C)(C)C)C(O)=O)=O)(C)C |
| Synonyms | 2-(tert-butyl carboxy)-3,3-dimethylbutanoic acid,
1955494-78-6,
SCHEMBL635059,
AKOS033934012,
2-[(tert-butoxy)carbonyl]-3,3-dimethylbutanoic acid,
Z2512942899,
|
| Complexity | 255 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 216.136g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 216.277g/mol |
| Monoisotopic Mass | 216.136g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 63.6A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number