| CAS Number | 77876-78-9 |
| Catalog Number | AG01AB83 |
| Chemical Name | 3-(4-Methyl-5-phenyl-1,3-oxazol-2-yl)propanoic acid |
| IUPAC Name | 3-(4-methyl-5-phenyl-1,3-oxazol-2-yl)propanoic acid |
| InChI | InChI=1S/C13H13NO3/c1-9-13(10-5-3-2-4-6-10)17-11(14-9)7-8-12(15)16/h2-6H,7-8H2,1H3,(H,15,16) |
| InChI Key | VDQCGNBJGMCHAC-UHFFFAOYSA-N |
| MDL Number | MFCD09807973 |
| Molecular Formula | C13H13NO3 |
| Molecular Weight | 231.2472 |
| SMILES | CC1=C(C2=CC=CC=C2)OC(CCC(O)=O)=N1 |
| Synonyms | 3-(4-methyl-5-phenyl-1,3-oxazol-2-yl)propanoic acid,
77876-78-9,
AC1Q2G8A,
CTK7J3115,
ZINC19388873,
AKOS000158698,
MCULE-8387575281,
NE31233,
EN300-70748,
Z234897243,
|
| Complexity | 263 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 231.09g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 231.251g/mol |
| Monoisotopic Mass | 231.09g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 63.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number