| CAS Number | 1119452-16-2 |
| Catalog Number | AG0090H9(AGN-PC-0WBOUG) |
| Chemical Name | 5-Ethyl-4-methylisoxazole-3-carboxylic acid |
| IUPAC Name | 5-ethyl-4-methyl-1,2-oxazole-3-carboxylic acid |
| InChI | InChI=1S/C7H9NO3/c1-3-5-4(2)6(7(9)10)8-11-5/h3H2,1-2H3,(H,9,10) |
| InChI Key | NLPZJLKNFKANHZ-UHFFFAOYSA-N |
| MDL Number | MFCD12026904 |
| Molecular Formula | C7H9NO3 |
| Molecular Weight | 155.1513 |
| SMILES | CCC1=C(C)C(C(O)=O)=NO1 |
| Synonyms | 5-ethyl-4-methylisoxazole-3-carboxylic acid,
1119452-16-2,
5-ethyl-4-methyl-1,2-oxazole-3-carboxylic acid,
CTK6D2913,
NLPZJLKNFKANHZ-UHFFFAOYSA-N,
ALBB-004423,
8874AC,
MFCD12026904,
STK503163,
ZINC34925002,
AKOS002657226,
MCULE-2448021152,
TR-058218,
C7H9NO3,
T2000,
|
| Complexity | 160 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 155.058g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 155.153g/mol |
| Monoisotopic Mass | 155.058g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 63.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number