| CAS Number | 120289-22-7 |
| Catalog Number | AG008163(AGN-PC-000WDR) |
| Chemical Name | Acetic acid, (carboxymethoxy)-, 1-(1,1-dimethylethyl) ester |
| IUPAC Name | 2-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]acetic acid |
| InChI | InChI=1S/C8H14O5/c1-8(2,3)13-7(11)5-12-4-6(9)10/h4-5H2,1-3H3,(H,9,10) |
| InChI Key | KFROMFPUCBQIKX-UHFFFAOYSA-N |
| MDL Number | MFCD20640417 |
| Molecular Formula | C8H14O5 |
| Molecular Weight | 190.1938 |
| SMILES | O=C(O)COCC(OC(C)(C)C)=O |
| Synonyms | 120289-22-7,
2-[2-(tert-butoxy)-2-oxoethoxy]acetic acid,
tert-butoxycarbonylmethoxyacetic acid,
Acetic acid, (carboxymethoxy)-, 1-(1,1-dimethylethyl) ester,
ACMC-20moty,
CTK0F9029,
DTXSID10558284,
AKOS027246888,
ZINC196302103,
(2-tert-Butoxy-2-oxoethoxy)acetic acid,
Z2418194254,
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| Complexity | 191 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 190.084g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 190.195g/mol |
| Monoisotopic Mass | 190.084g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 72.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.6 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number