| CAS Number | 13901-85-4 |
| Catalog Number | AG001A0X(AGN-PC-0069KS) |
| Chemical Name | 6-Methylheptane-2,5-dione |
| IUPAC Name | 6-methylheptane-2,5-dione |
| InChI | InChI=1S/C8H14O2/c1-6(2)8(10)5-4-7(3)9/h6H,4-5H2,1-3H3 |
| InChI Key | GQOZVBVPTAONFU-UHFFFAOYSA-N |
| MDL Number | MFCD00179783 |
| Molecular Formula | C8H14O2 |
| Molecular Weight | 142.1956 |
| SMILES | CC(C(CCC(C)=O)=O)C |
| Synonyms | 6-methylheptane-2,5-dione,
13901-85-4,
NE40438,
EN300-81026,
CID11298023,
2,5-Heptanedione, 6-methyl-,
2-methyl-3,6-heptadione,
6-Methylhepta-2,5-dione,
SCHEMBL888729,
CTK0F2787,
DTXSID50461521,
ZINC34454826,
AKOS011598467,
|
| Complexity | 136 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 142.099g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 142.198g/mol |
| Monoisotopic Mass | 142.099g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 34.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number