| CAS Number | 181819-48-7 |
| Catalog Number | AG01BCZK(AGN-PC-03RSKT) |
| Chemical Name | 3-Methoxy-3-methylbutanoic acid |
| IUPAC Name | 3-methoxy-3-methylbutanoic acid |
| InChI | InChI=1S/C6H12O3/c1-6(2,9-3)4-5(7)8/h4H2,1-3H3,(H,7,8) |
| InChI Key | AGQCQAYKDWYIKI-UHFFFAOYSA-N |
| MDL Number | MFCD19228492 |
| Molecular Formula | C6H12O3 |
| Molecular Weight | 132.1577 |
| SMILES | COC(CC(O)=O)(C)C |
| Synonyms | 3-methoxy-3-methylbutanoic acid,
181819-48-7,
SCHEMBL2792859,
AGQCQAYKDWYIKI-UHFFFAOYSA-N,
Butanoic acid, 3-methoxy-3-methyl-,
ZINC88189688,
AKOS006380898,
NE38766,
Z2186895151,
|
| Complexity | 107 |
| 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 | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number