| CAS Number | 37472-52-9 |
| Catalog Number | AG01C3EZ(AGN-PC-03P6V2) |
| Chemical Name | 3-(tert-Butoxy)-2-methyl-3-oxopropanoic acid |
| IUPAC Name | 2-methyl-3-[(2-methylpropan-2-yl)oxy]-3-oxopropanoic acid |
| InChI | InChI=1S/C8H14O4/c1-5(6(9)10)7(11)12-8(2,3)4/h5H,1-4H3,(H,9,10) |
| InChI Key | IDARKWFFLKAWQP-UHFFFAOYSA-N |
| MDL Number | MFCD20639075 |
| Molecular Formula | C8H14O4 |
| Molecular Weight | 174.1944 |
| SMILES | O=C(O)C(C)C(OC(C)(C)C)=O |
| Synonyms | 3-(tert-butoxy)-2-methyl-3-oxopropanoic acid,
37472-52-9,
SCHEMBL1088194,
IDARKWFFLKAWQP-UHFFFAOYSA-N,
2-(tert-Butoxycarbonyl)propanoic acid,
2-(tert-Butoxycarbonyl) propanoic acid,
GS-4195,
2-Methylmalonic acid 1-tert-butyl ester,
2-methyl-malonic acid mono-tert-butyl ester,
Z2327884066,
42726-73-8,
|
| Complexity | 190 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 174.089g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 174.196g/mol |
| Monoisotopic Mass | 174.089g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 63.6A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number