| CAS Number | 84508-55-4 |
| Catalog Number | AG004RZU(AGN-PC-0URZHT) |
| Chemical Name | Butanoic-1,2,3,4-13C4 acid, 3-oxo-, ethyl ester |
| IUPAC Name | ethyl 3-oxo(1,2,3,4-13C4)butanoate |
| InChI | InChI=1S/C6H10O3/c1-3-9-6(8)4-5(2)7/h3-4H2,1-2H3/i2+1,4+1,5+1,6+1 |
| InChI Key | XYIBRDXRRQCHLP-XMUWKQMQSA-N |
| MDL Number | MFCD00083958 |
| Molecular Formula | C6H10O3 |
| Molecular Weight | 130.1418 |
| SMILES | C(C(=O)OCC)C(=O)C |
| Synonyms | Ethyl acetoacetate-1,2,3,4-13C4,
84508-55-4,
Ethyl Acetoacetate-13C4,
SCHEMBL1330988,
CTK8F9636,
DTXSID80466786,
AKOS030242868,
Ethyl acetoacetate-1,2,3,4-13C4, 99 atom % 13C, 99% (CP),
ethyl acetoacetate,
ethyl 3-oxobutanoate,
Ethyl Acetoacetate 13C4,
CS-T-54374,
CID11469103,
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| Complexity | 118 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 134.076g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 9 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 4 |
| Molecular Weight | 134.112g/mol |
| Monoisotopic Mass | 134.076g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 43.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.2 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number