| CAS Number | 67535-07-3 |
| Catalog Number | AG01E094 |
| Chemical Name | ethyl 2,3-dihydroxy-2-methylpropanoate |
| IUPAC Name | ethyl 2,3-dihydroxy-2-methylpropanoate |
| InChI | InChI=1S/C6H12O4/c1-3-10-5(8)6(2,9)4-7/h7,9H,3-4H2,1-2H3 |
| InChI Key | CSAJBPPQDTYLCZ-UHFFFAOYSA-N |
| MDL Number | MFCD20484313 |
| Molecular Formula | C6H12O4 |
| Molecular Weight | 148.1571 |
| SMILES | CCOC(C(CO)(O)C)=O |
| Synonyms | ethyl 2,3-dihydroxy-2-methylpropanoate,
67535-07-3,
SCHEMBL2217971,
2-Methyl-2,3-dihydroxypropanoic acid ethyl ester,
|
| Complexity | 123 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 148.074g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 148.158g/mol |
| Monoisotopic Mass | 148.074g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 66.8A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -0.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number