| CAS Number | 76904-18-2 |
| Catalog Number | AG01A6Z9(AGN-PC-0WO7CI) |
| Chemical Name | 4-(tert-butoxy)-2-methyl-4-oxobutanoic acid |
| IUPAC Name | 2-methyl-4-[(2-methylpropan-2-yl)oxy]-4-oxobutanoic acid |
| InChI | InChI=1S/C9H16O4/c1-6(8(11)12)5-7(10)13-9(2,3)4/h6H,5H2,1-4H3,(H,11,12) |
| InChI Key | RSLMNCHJSYDERN-UHFFFAOYSA-N |
| MDL Number | MFCD20653174 |
| Molecular Formula | C9H16O4 |
| Molecular Weight | 188.2209 |
| SMILES | CC(C(O)=O)CC(OC(C)(C)C)=O |
| Synonyms | 4-(tert-butoxy)-2-methyl-4-oxobutanoic acid,
76904-18-2,
(R)-4-(tert-Butoxy)-2-methyl-4-oxobutanoic acid,
185836-75-3,
(S)-4-tert-butoxy-2-methyl-4-oxobutanoic acid,
(R)-4-TERT-BUTOXY-2-METHYL-4-OXOBUTANOIC ACID,
(2R)-2-methyl-4-[(2-methylpropan-2-yl)oxy]-4-oxobutanoic acid,
182007-75-6,
16948-10-0,
(s)-4-(tert-butoxy)-2-methyl-4-oxobutanoic acid,
AK-81839,
SCHEMBL3942038,
AKOS022642747,
NE52699,
DA-09429,
4CH-017363,
3-(tert-butoxycarbonyl)-2-methylpropanoic acid,
|
| Complexity | 202 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 188.105g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 188.223g/mol |
| Monoisotopic Mass | 188.105g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 63.6A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number