| CAS Number | 22667-24-9 |
| Catalog Number | AG00BJ14(AGN-PC-001FC9) |
| Chemical Name | Ethyl 5-formylisoxazole-3-carboxylate |
| IUPAC Name | ethyl 5-formyl-1,2-oxazole-3-carboxylate |
| InChI | InChI=1S/C7H7NO4/c1-2-11-7(10)6-3-5(4-9)12-8-6/h3-4H,2H2,1H3 |
| InChI Key | AGGPRSBKBRLUMV-UHFFFAOYSA-N |
| MDL Number | MFCD11052378 |
| Molecular Formula | C7H7NO4 |
| Molecular Weight | 169.1348 |
| SMILES | O=C(C1=NOC(C=O)=C1)OCC |
| Synonyms | Ethyl 5-formylisoxazole-3-carboxylate,
22667-24-9,
ethyl 5-formyl-1,2-oxazole-3-carboxylate,
SCHEMBL7412906,
CTK6F6030,
KS-00003GUJ,
AGGPRSBKBRLUMV-UHFFFAOYSA-N,
MFCD11052378,
SBB088248,
ZINC34295792,
ethyl-5-formylisoxazole-3-carboxylate,
AKOS006309204,
AS-5095,
TR-072057,
Z-1935,
3-Isoxazolecarboxylic acid, 5-formyl-, ethyl ester,
F1913-0095,
5-formyl-isoxazole-3-carboxylic acid ethyl ester,
|
| Complexity | 182 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 169.038g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 169.136g/mol |
| Monoisotopic Mass | 169.038g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 69.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number