| CAS Number | 98192-72-4 |
| Catalog Number | AG01B9D8(AGN-PC-00LP2P) |
| Chemical Name | Ethyl 4-methyl-3-oxohexanoate |
| IUPAC Name | ethyl 4-methyl-3-oxohexanoate |
| InChI | InChI=1S/C9H16O3/c1-4-7(3)8(10)6-9(11)12-5-2/h7H,4-6H2,1-3H3 |
| InChI Key | KHIHEUAINZCGRS-UHFFFAOYSA-N |
| MDL Number | MFCD18872030 |
| Molecular Formula | C9H16O3 |
| Molecular Weight | 172.2215 |
| SMILES | CC(C(CC(=O)OCC)=O)CC |
| Synonyms | ethyl 4-methyl-3-oxohexanoate,
98192-72-4,
Hexanoic acid, 4-methyl-3-oxo-, ethyl ester, (4S)-,
ACMC-20m9e0,
SCHEMBL2003743,
KHIHEUAINZCGRS-UHFFFAOYSA-N,
105989-25-1,
AKOS013027997,
4-Methyl-3-oxohexanoic acid ethyl ester,
DA-00095,
FT-0755016,
I14-57976,
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| Complexity | 163 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 172.11g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 172.224g/mol |
| Monoisotopic Mass | 172.11g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 43.4A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.7 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number