| CAS Number | 95104-43-1 |
| Catalog Number | AG01F7V6(AGN-PC-00M1UO) |
| Chemical Name | Ethyl 5-(1-Hydroxyethyl)-3-methylsoxazole-4-carboxylate |
| IUPAC Name | ethyl 5-(1-hydroxyethyl)-3-methyl-1,2-oxazole-4-carboxylate |
| InChI | InChI=1S/C9H13NO4/c1-4-13-9(12)7-5(2)10-14-8(7)6(3)11/h6,11H,4H2,1-3H3 |
| InChI Key | GVYLTQLBKZFDJN-UHFFFAOYSA-N |
| MDL Number | MFCD30186573 |
| Molecular Formula | C9H13NO4 |
| Molecular Weight | 199.2038 |
| SMILES | CCOC(=O)c1c(C)noc1C(O)C |
| Synonyms | 95104-43-1,
Ethyl 5-(1-Hydroxyethyl)-3-methylsoxazole-4-carboxylate,
ethyl 5-(1-hydroxyethyl)-3-methyl-1,2-oxazole-4-carboxylate,
KS-00003GVI,
MFCD09028409,
SBB092443,
AKOS006288839,
AS-5135,
OR346088,
ethyl 5-(hydroxyethyl)-3-methylisoxazole-4-carboxylate,
ethyl 5-(1-Hydroxyethyl)-3-methylisoxazole-4-carboxylate,
|
| Complexity | 209 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 199.084g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 199.206g/mol |
| Monoisotopic Mass | 199.084g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 72.6A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.5 |
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Certificate of Analysis
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