| CAS Number | 66018-25-5 |
| Catalog Number | AG01AD05(AGN-PC-05BYEQ) |
| Chemical Name | 2-methoxy-3-methylbutanoic acid |
| IUPAC Name | 2-methoxy-3-methylbutanoic acid |
| InChI | InChI=1S/C6H12O3/c1-4(2)5(9-3)6(7)8/h4-5H,1-3H3,(H,7,8) |
| InChI Key | CRNWYNSIQHMCOB-UHFFFAOYSA-N |
| MDL Number | MFCD09947964 |
| Molecular Formula | C6H12O3 |
| Molecular Weight | 132.1577 |
| SMILES | COC(C(O)=O)C(C)C |
| Synonyms | 2-methoxy-3-methylbutanoic acid,
66018-25-5,
SCHEMBL466551,
2-Methoxy-3-methylbutyric Acid,
(rs)-2-methoxyisopentanoic acid,
AKOS000192919,
AKOS023569186,
NE38662,
SY057657,
(R)-2-METHOXY-3-METHYLBUTANOIC ACID,
(S)-2-METHOXY-3-METHYLBUTANOIC ACID,
MFCD09947964 (95%),
F8880-2353,
|
| Complexity | 98.5 |
| 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 | 1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number