| CAS Number | 78814-97-8 |
| Catalog Number | AG01C32H |
| Chemical Name | 2-Methoxy-4-methylpentanoic acid |
| IUPAC Name | 2-methoxy-4-methylpentanoic acid |
| InChI | InChI=1S/C7H14O3/c1-5(2)4-6(10-3)7(8)9/h5-6H,4H2,1-3H3,(H,8,9) |
| InChI Key | MJHYCHHBCQHJNB-UHFFFAOYSA-N |
| MDL Number | MFCD19229805 |
| Molecular Formula | C7H14O3 |
| Molecular Weight | 146.1843 |
| SMILES | COC(C(O)=O)CC(C)C |
| Synonyms | 2-methoxy-4-methylpentanoic acid,
78814-97-8,
SCHEMBL8072286,
AKOS006379863,
Z2327884078,
4-Methyl-2-(methylhydroxy)pentanoic acid,
|
| Complexity | 109 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 146.094g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 146.186g/mol |
| Monoisotopic Mass | 146.094g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 46.5A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number