| CAS Number | 923738-58-3 |
| Catalog Number | AG019KC1 |
| Chemical Name | 3-[5-(2-Chlorophenyl)-1,3-oxazol-2-yl]propanoic acid |
| IUPAC Name | 3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]propanoic acid |
| InChI | InChI=1S/C12H10ClNO3/c13-9-4-2-1-3-8(9)10-7-14-11(17-10)5-6-12(15)16/h1-4,7H,5-6H2,(H,15,16) |
| InChI Key | CYIOOFBFHBHUEN-UHFFFAOYSA-N |
| MDL Number | MFCD08691299 |
| Molecular Formula | C12H10ClNO3 |
| Molecular Weight | 251.6657 |
| SMILES | OC(CCC1OC(C2=C(Cl)C=CC=C2)=CN=1)=O |
| Synonyms | 3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]propanoic acid,
923738-58-3,
AC1Q75A1,
CTK7J3199,
ZINC50107310,
AKOS000200223,
MCULE-6568045128,
NE18220,
EN300-26335,
Z223042470,
|
| Complexity | 275 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 251.035g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 251.666g/mol |
| Monoisotopic Mass | 251.035g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 63.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number