| CAS Number | 78934-71-1 |
| Catalog Number | AG00ICZD(AGN-PC-00K3BA) |
| Chemical Name | Ethyl 5-(1-Hydroxyethyl)isoxazole-3-carboxylate |
| IUPAC Name | ethyl 5-(1-hydroxyethyl)-1,2-oxazole-3-carboxylate |
| InChI | InChI=1S/C8H11NO4/c1-3-12-8(11)6-4-7(5(2)10)13-9-6/h4-5,10H,3H2,1-2H3 |
| InChI Key | USAQNLVRCXORQI-UHFFFAOYSA-N |
| MDL Number | MFCD25967260 |
| Molecular Formula | C8H11NO4 |
| Molecular Weight | 185.1772 |
| SMILES | O=C(C1=NOC(C(O)C)=C1)OCC |
| Synonyms | 78934-71-1,
Ethyl 5-(1-Hydroxyethyl)isoxazole-3-carboxylate,
ethyl 5-(1-hydroxyethyl)-1,2-oxazole-3-carboxylate,
3-Isoxazolecarboxylic acid, 5-(1-hydroxyethyl)-, ethyl ester,
1-(3-carbethoxy-5-isoxazolyl)ethanol,
SCHEMBL346323,
USAQNLVRCXORQI-UHFFFAOYSA-N,
KS-000025WD,
AKOS016037666,
GS-2528,
OR015029,
ethyl 5-(1-hydroxyethyl)-isoxazole-3-carboxylate,
|
| Complexity | 185 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 185.069g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 185.179g/mol |
| Monoisotopic Mass | 185.069g/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 |
GHS Hazard and Precautionary Statements
| Symbol: | |
|
Hazard statements
|
|
|
Precautionary statements
|
|
Certificate of Analysis
Lot Number