| CAS Number | 4749-12-6 |
| Catalog Number | AG00E01B(AGN-PC-0COTLY) |
| Chemical Name | EThyl 2-methyl-4-oxopentanoate |
| IUPAC Name | ethyl 2-methyl-4-oxopentanoate |
| InChI | InChI=1S/C8H14O3/c1-4-11-8(10)6(2)5-7(3)9/h6H,4-5H2,1-3H3 |
| InChI Key | KDAUHJMEXOZJRQ-UHFFFAOYSA-N |
| MDL Number | MFCD24687969 |
| Molecular Formula | C8H14O3 |
| Molecular Weight | 158.1950 |
| SMILES | CCOC(=O)C(C)CC(C)=O |
| Synonyms | Ethyl 2-methyl-4-oxopentanoate,
4749-12-6,
Pentanoic acid, 2-methyl-4-oxo-, ethyl ester,
AC1LBNQD,
Levulinic acid, 2-methyl-, ethyl ester,
SCHEMBL2316481,
CTK8I8228,
DTXSID00337146,
KDAUHJMEXOZJRQ-UHFFFAOYSA-N,
Ethyl 2-methyl-4-oxopentanoate #,
2-Methyl-4-oxovaleric acid ethyl ester,
CID539070,
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| Complexity | 151 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 158.094g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 158.197g/mol |
| Monoisotopic Mass | 158.094g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 43.4A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.6 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number