| CAS Number | 1033707-35-5 |
| Catalog Number | AG019YT5(AGN-PC-0WO5BJ) |
| Chemical Name | ethyl 2-chloro-5-methyl-3-oxohexanoate |
| IUPAC Name | ethyl 2-chloro-5-methyl-3-oxohexanoate |
| InChI | InChI=1S/C9H15ClO3/c1-4-13-9(12)8(10)7(11)5-6(2)3/h6,8H,4-5H2,1-3H3 |
| InChI Key | YCIZIUUFBFSOBV-UHFFFAOYSA-N |
| MDL Number | MFCD22369809 |
| Molecular Formula | C9H15ClO3 |
| Molecular Weight | 206.6666 |
| SMILES | CCOC(C(C(CC(C)C)=O)Cl)=O |
| Synonyms | ethyl 2-chloro-5-methyl-3-oxohexanoate,
1033707-35-5,
SCHEMBL3832543,
AKOS026727834,
NE18674,
|
| Complexity | 189 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 206.070972g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 206.66g/mol |
| Monoisotopic Mass | 206.070972g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 43.4Ų |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number