| CAS Number | 1258640-79-7 |
| Catalog Number | AG019RKM |
| Chemical Name | Methyl 5-oxo-4-propanoylheptanoate |
| IUPAC Name | methyl 5-oxo-4-propanoylheptanoate |
| InChI | InChI=1S/C11H18O4/c1-4-9(12)8(10(13)5-2)6-7-11(14)15-3/h8H,4-7H2,1-3H3 |
| InChI Key | XMOXOHILIYTVHS-UHFFFAOYSA-N |
| MDL Number | MFCD17977231 |
| Molecular Formula | C11H18O4 |
| Molecular Weight | 214.2582 |
| SMILES | CCC(C(C(CC)=O)CCC(OC)=O)=O |
| Synonyms | methyl 5-oxo-4-propanoylheptanoate,
EN300-89890,
1258640-79-7,
AC1Q2RLX,
ZINC57219262,
|
| Complexity | 229 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 214.121g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 214.261g/mol |
| Monoisotopic Mass | 214.121g/mol |
| Rotatable Bond Count | 8 |
| Topological Polar Surface Area | 60.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number