| CAS Number | 24045-73-6 |
| Catalog Number | AG006XLO(AGN-PC-00K3T1) |
| Chemical Name | Ethyl 2-chloro-3-oxopentanoate |
| IUPAC Name | ethyl 2-chloro-3-oxopentanoate |
| InChI | InChI=1S/C7H11ClO3/c1-3-5(9)6(8)7(10)11-4-2/h6H,3-4H2,1-2H3 |
| InChI Key | GEMFOQNVIPGLNR-UHFFFAOYSA-N |
| MDL Number | MFCD20621220 |
| Molecular Formula | C7H11ClO3 |
| Molecular Weight | 178.6134 |
| SMILES | CCOC(C(C(CC)=O)Cl)=O |
| Synonyms | ethyl 2-chloro-3-oxopentanoate,
24045-73-6,
Pentanoic acid, 2-chloro-3-oxo-, ethyl ester,
SCHEMBL1597955,
CTK0J5269,
DTXSID90513073,
GEMFOQNVIPGLNR-UHFFFAOYSA-N,
AKOS026726419,
NE16656,
2-Chloro-3-oxovaleric acid ethyl ester,
SC-94888,
2-Chloro-3-oxo-pentanoic acid ethyl ester,
2-chloro-3-oxoPentanoic acid ethyl ester,
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| Complexity | 156 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 178.04g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 178.612g/mol |
| Monoisotopic Mass | 178.04g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 43.4A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.5 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number