| CAS Number | 89534-52-1 |
| Catalog Number | AG00IFRE(AGN-PC-00KWC5) |
| Chemical Name | Propanoic acid, 3-hydroxy-2-methyl-, ethyl ester |
| IUPAC Name | ethyl 3-hydroxy-2-methylpropanoate |
| InChI | InChI=1S/C6H12O3/c1-3-9-6(8)5(2)4-7/h5,7H,3-4H2,1-2H3 |
| InChI Key | SLKZIPLLOLLLPQ-UHFFFAOYSA-N |
| MDL Number | MFCD16087525 |
| Molecular Formula | C6H12O3 |
| Molecular Weight | 132.1577 |
| SMILES | O=C(OCC)C(C)CO |
| Synonyms | ethyl 3-hydroxy-2-methylpropanoate,
89534-52-1,
ethyl 2-methyl-3-hydroxypropionate,
ACMC-20mlol,
Propanoic acid, 3-hydroxy-2-methyl-, ethyl ester, (S)-,
SCHEMBL812706,
ethyl 3-hydroxy-2-methylpropionate,
115992-68-2,
MFCD16087525,
AKOS010987068,
MCULE-7936560025,
NE62533,
|
| 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 | 0.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number