| CAS Number | 850856-37-0 |
| Catalog Number | AG01BXSO(AGN-PC-0WOJHY) |
| Chemical Name | 2-Ethoxy-3-methylbutanoic acid |
| IUPAC Name | 2-ethoxy-3-methylbutanoic acid |
| InChI | InChI=1S/C7H14O3/c1-4-10-6(5(2)3)7(8)9/h5-6H,4H2,1-3H3,(H,8,9) |
| InChI Key | CXAZWYHOXPIWOA-UHFFFAOYSA-N |
| MDL Number | MFCD09938336 |
| Molecular Formula | C7H14O3 |
| Molecular Weight | 146.1843 |
| SMILES | CCOC(C(O)=O)C(C)C |
| Synonyms | 2-ethoxy-3-methylbutanoic acid,
850856-37-0,
2-Ethoxy-3-methylbutyric Acid,
SCHEMBL9628984,
AKOS000180960,
AKOS022482832,
SY057660,
MFCD09938336 (95%),
|
| 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