| CAS Number | 99183-34-3 |
| Catalog Number | AG01A143(AGN-PC-0WO38J) |
| Chemical Name | 6-Methyl-7-Oxooctanoic Acid |
| IUPAC Name | 6-methyl-7-oxooctanoic acid |
| InChI | InChI=1S/C9H16O3/c1-7(8(2)10)5-3-4-6-9(11)12/h7H,3-6H2,1-2H3,(H,11,12) |
| InChI Key | WFGUTPGXNJPFOF-UHFFFAOYSA-N |
| MDL Number | MFCD20639044 |
| Molecular Formula | C9H16O3 |
| Molecular Weight | 172.2215 |
| SMILES | CC(CCCCC(=O)O)C(=O)C |
| Synonyms | 6-methyl-7-oxooctanoic acid,
99183-34-3,
SCHEMBL999059,
WFGUTPGXNJPFOF-UHFFFAOYSA-N,
AKOS026727141,
MCULE-7016988868,
NE36573,
5-methyl-6-oxoheptane-1-carboxylic acid,
Z1442183598,
|
| Complexity | 163 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 172.11g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 172.224g/mol |
| Monoisotopic Mass | 172.11g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 54.4A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number