| CAS Number | 2955-62-6 |
| Catalog Number | AG002YQ0(AGN-PC-0JSOAF) |
| Chemical Name | Hexanoic acid, 4-oxo-, methyl ester |
| IUPAC Name | methyl 4-oxohexanoate |
| InChI | InChI=1S/C7H12O3/c1-3-6(8)4-5-7(9)10-2/h3-5H2,1-2H3 |
| InChI Key | FOGHPENQGFYWSI-UHFFFAOYSA-N |
| MDL Number | MFCD00069010 |
| Molecular Formula | C7H12O3 |
| Molecular Weight | 144.1684 |
| SMILES | CCC(=O)CCC(=O)OC |
| Synonyms | Methyl 4-oxohexanoate,
Hexanoic acid, 4-oxo-, methyl ester,
2955-62-6,
FOGHPENQGFYWSI-UHFFFAOYSA-N,
Methyl homolevulinate,
methyl 4-oxo-hexanoate,
AC1LC1R4,
SCHEMBL765093,
CTK0J1253,
4-oxo-hexanoic acid methyl ester,
DTXSID70338089,
AKOS010909587,
FT-0744590,
CID546293,
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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 | 0.3 |
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Certificate of Analysis
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