| CAS Number | 134378-95-3 |
| Catalog Number | AG019MMJ(AGN-PC-02Q2JO) |
| Chemical Name | 3-(4-Methylphenyl)-1,2-oxazole-5-carboxylic acid |
| IUPAC Name | 3-(4-methylphenyl)-1,2-oxazole-5-carboxylic acid |
| InChI | InChI=1S/C11H9NO3/c1-7-2-4-8(5-3-7)9-6-10(11(13)14)15-12-9/h2-6H,1H3,(H,13,14) |
| InChI Key | QHISGBCCUGZEEN-UHFFFAOYSA-N |
| MDL Number | MFCD07357602 |
| Molecular Formula | C11H9NO3 |
| Molecular Weight | 203.1941 |
| SMILES | O=C(C1=CC(C2=CC=C(C)C=C2)=NO1)O |
| Synonyms | 3-(4-methylphenyl)isoxazole-5-carboxylic acid,
134378-95-3,
3-(4-methylphenyl)-1,2-oxazole-5-carboxylic acid,
3-p-Tolylisoxazole-5-carboxylic acid,
AC1Q2KFO,
SCHEMBL8880032,
CTK6B8219,
QHISGBCCUGZEEN-UHFFFAOYSA-N,
ZINC20264893,
AKOS008119675,
MCULE-7477841489,
NE21134,
EN300-36616,
3-(4 -methylphenyl) isoxazole-5-carboxylic acid,
J-006528,
Z372854136,
|
| Complexity | 236 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 203.058g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 203.197g/mol |
| Monoisotopic Mass | 203.058g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 63.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number