| CAS Number | 1019357-65-3 |
| Catalog Number | AG019KC3 |
| Chemical Name | 3-[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]propanoic acid |
| IUPAC Name | 3-[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]propanoic acid |
| InChI | InChI=1S/C13H13NO4/c1-17-10-4-2-9(3-5-10)11-8-14-12(18-11)6-7-13(15)16/h2-5,8H,6-7H2,1H3,(H,15,16) |
| InChI Key | XNECMDGPKZMMNM-UHFFFAOYSA-N |
| MDL Number | MFCD11107672 |
| Molecular Formula | C13H13NO4 |
| Molecular Weight | 247.2466 |
| SMILES | COC1=CC=C(C2OC(CCC(O)=O)=NC=2)C=C1 |
| Synonyms | 3-[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]propanoic acid,
1019357-65-3,
AC1Q4A8C,
CTK7A3070,
ZINC19803096,
AKOS000200222,
MCULE-2181826843,
NE43835,
EN300-26339,
Z935140738,
|
| Complexity | 276 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 247.084g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 247.25g/mol |
| Monoisotopic Mass | 247.084g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 72.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number