| CAS Number | 91137-53-0 |
| Catalog Number | AG01ABLV(AGN-PC-0WO5Y1) |
| Chemical Name | 2-Methyl-5-phenyl-1,3-oxazole-4-carboxylic acid |
| IUPAC Name | 2-methyl-5-phenyl-1,3-oxazole-4-carboxylic acid |
| InChI | InChI=1S/C11H9NO3/c1-7-12-9(11(13)14)10(15-7)8-5-3-2-4-6-8/h2-6H,1H3,(H,13,14) |
| InChI Key | GEAPKHXZFUKEDK-UHFFFAOYSA-N |
| MDL Number | MFCD16989034 |
| Molecular Formula | C11H9NO3 |
| Molecular Weight | 203.1941 |
| SMILES | CC1OC(C2=CC=CC=C2)=C(C(O)=O)N=1 |
| Synonyms | 91137-53-0,
2-methyl-5-phenyl-1,3-oxazole-4-carboxylic acid,
2-methyl-5-phenyloxazole-4-carboxylic acid,
SCHEMBL1167223,
GEAPKHXZFUKEDK-UHFFFAOYSA-N,
ZINC75838776,
AKOS023093675,
MCULE-6834566380,
NE23903,
SC-95429,
2-methyl-5-phenyl-oxazole-4-carboxylic acid,
5-phenyl-2-methyl-oxazole-4-carboxylic acid,
4-Oxazolecarboxylic acid, 2-methyl-5-phenyl-,
Z1675167163,
2-methyl-5-phenyl-4-oxazolecarboxylic acid,
|
| Complexity | 238 |
| 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