| CAS Number | 76849-54-2 |
| Catalog Number | AG008OOY(AGN-PC-006I5M) |
| Chemical Name | Propanoic acid, 2-oxo-, 1,1-dimethylethyl ester |
| IUPAC Name | tert-butyl 2-oxopropanoate |
| InChI | InChI=1S/C7H12O3/c1-5(8)6(9)10-7(2,3)4/h1-4H3 |
| InChI Key | YVZKICWRYOHMRD-UHFFFAOYSA-N |
| MDL Number | MFCD24688021 |
| Molecular Formula | C7H12O3 |
| Molecular Weight | 144.1684 |
| SMILES | CC(=O)C(=O)OC(C)(C)C |
| Synonyms | Tert-butyl 2-oxopropanoate,
t-butyl pyruvate,
76849-54-2,
Propanoic acid, 2-oxo-, 1,1-dimethylethyl ester,
tert-butyl pyruvate,
tert.-butyl pyruvate,
tert-butyl 2-oxopropanate,
Pyruvic acid tert-butyl ester,
SCHEMBL1088879,
CTK2G7234,
DTXSID60461850,
YVZKICWRYOHMRD-UHFFFAOYSA-N,
CID11309579,
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| Complexity | 153 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 144.079g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 144.17g/mol |
| Monoisotopic Mass | 144.079g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 43.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1 |
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