| CAS Number | 35841-41-9 |
| Catalog Number | AG019PR0(AGN-PC-001TAN) |
| Chemical Name | 4-Methoxy-2-methylbutanoic acid |
| IUPAC Name | 4-methoxy-2-methylbutanoic acid |
| InChI | InChI=1S/C6H12O3/c1-5(6(7)8)3-4-9-2/h5H,3-4H2,1-2H3,(H,7,8) |
| InChI Key | AJZOYSGAEPJFKH-UHFFFAOYSA-N |
| MDL Number | MFCD12794498 |
| Molecular Formula | C6H12O3 |
| Molecular Weight | 132.1577 |
| SMILES | COCCC(C(O)=O)C |
| Synonyms | 4-methoxy-2-methylbutanoic acid,
35841-41-9,
SCHEMBL2233732,
CTK1B0364,
DTXSID00561666,
Butanoic acid, 4-methoxy-2-methyl-,
AKOS010364146,
MCULE-5066180613,
NE44462,
Z1302373954,
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| Complexity | 90.3 |
| 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 | 4 |
| Topological Polar Surface Area | 46.5A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.5 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number