| CAS Number | 232940-55-5 |
| Catalog Number | AG01BHFK(AGN-PC-0WOTYZ) |
| Chemical Name | 2-Methoxy-2-methylbutanoic acid |
| IUPAC Name | 2-methoxy-2-methylbutanoic acid |
| InChI | InChI=1S/C6H12O3/c1-4-6(2,9-3)5(7)8/h4H2,1-3H3,(H,7,8) |
| InChI Key | ILPPBAVVZSUKHB-UHFFFAOYSA-N |
| MDL Number | MFCD13881906 |
| Molecular Formula | C6H12O3 |
| Molecular Weight | 132.1577 |
| SMILES | CCC(C(O)=O)(OC)C |
| Synonyms | 2-methoxy-2-methylbutanoic acid,
232940-55-5,
SCHEMBL535726,
2-Methyl-2-methoxybutanoic acid,
AKOS016357613,
MCULE-9916724590,
NS-01054,
55394-68-8,
2-methoxy-2-methyl-butanoic Acid,
CID10701863,
|
| Complexity | 111 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 132.079g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 9 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 132.159g/mol |
| Monoisotopic Mass | 132.079g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 46.5A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number