| CAS Number | 3884-92-2 |
| Catalog Number | AG01FVZ5(AGN-PC-0JSI4J) |
| Chemical Name | Methyl 8-oxooctanoate |
| IUPAC Name | methyl 8-oxooctanoate |
| InChI | InChI=1S/C9H16O3/c1-12-9(11)7-5-3-2-4-6-8-10/h8H,2-7H2,1H3 |
| InChI Key | HVAXGLYKECRETN-UHFFFAOYSA-N |
| MDL Number | MFCD24673698 |
| Molecular Formula | C9H16O3 |
| Molecular Weight | 172.2215 |
| SMILES | O=CCCCCCCC(=O)OC |
| Synonyms | Methyl 8-oxooctanoate,
3884-92-2,
HVAXGLYKECRETN-UHFFFAOYSA-N,
methyl 8-oxo-octanoate,
methyl 7-formylheptanoate,
SCHEMBL274488,
8-Oxooctanoic acid methyl ester,
CTK1B4611,
DTXSID70336626,
Octanoic acid, 8-oxo-, methyl ester,
DA-20526,
FT-0735695,
AC1LBFYJ,
CID535040,
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| Complexity | 132 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 172.109944g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 172.22g/mol |
| Monoisotopic Mass | 172.109944g/mol |
| Rotatable Bond Count | 8 |
| Topological Polar Surface Area | 43.4Ų |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.8 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number