| CAS Number | 6395-83-1 |
| Catalog Number | AG00EZAR(AGN-PC-0JSNQ5) |
| Chemical Name | Methyl 2-oxohexanoate |
| IUPAC Name | methyl 2-oxohexanoate |
| InChI | InChI=1S/C7H12O3/c1-3-4-5-6(8)7(9)10-2/h3-5H2,1-2H3 |
| InChI Key | GJIQBFATAJWGCL-UHFFFAOYSA-N |
| MDL Number | MFCD24688432 |
| Molecular Formula | C7H12O3 |
| Molecular Weight | 144.1684 |
| SMILES | CCCCC(C(OC)=O)=O |
| Synonyms | Methyl 2-oxohexanoate,
6395-83-1,
2-Ketocaproic acid methyl ester,
Hexanoic acid, 2-oxo-, methyl ester,
AC1LBZVO,
Methyl 2-oxohexanoate #,
SCHEMBL910065,
CTK8J7910,
2-oxo-hexanoic acid methyl ester,
GJIQBFATAJWGCL-UHFFFAOYSA-N,
ZINC98181413,
AKOS024261957,
AJ-142519,
2-Ketocaproicacidmethylester,
CID545374,
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| Complexity | 129 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 144.079g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 144.17g/mol |
| Monoisotopic Mass | 144.079g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 43.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.4 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number