| CAS Number | 953734-04-8 |
| Catalog Number | AG019W26 |
| Chemical Name | 2-(4-[(5-Methyl-1,2-oxazole-4-)amido]phenyl)acetic acid |
| IUPAC Name | 2-[4-[(5-methyl-1,2-oxazole-4-carbonyl)amino]phenyl]acetic acid |
| InChI | InChI=1S/C13H12N2O4/c1-8-11(7-14-19-8)13(18)15-10-4-2-9(3-5-10)6-12(16)17/h2-5,7H,6H2,1H3,(H,15,18)(H,16,17) |
| InChI Key | SCKCCWYEZOEARX-UHFFFAOYSA-N |
| MDL Number | MFCD09733330 |
| Molecular Formula | C13H12N2O4 |
| Molecular Weight | 260.2454 |
| SMILES | CC1=C(C(NC2=CC=C(CC(O)=O)C=C2)=O)C=NO1 |
| Synonyms | 2-[4-(5-methyl-1,2-oxazole-4-amido)phenyl]acetic acid,
953734-04-8,
2-{4-[(5-methyl-1,2-oxazole-4-)amido]phenyl}acetic acid,
AC1Q2EVC,
CTK7G0348,
ZINC22177262,
AKOS000139352,
MCULE-3001882097,
NE14333,
EN300-50241,
Z607822486,
(4-{[(5-METHYLISOXAZOL-4-YL)CARBONYL]AMINO}PHENYL)ACETIC ACID,
Benzeneacetic acid, 4-[[(5-methyl-4-isoxazolyl)carbonyl]amino],
|
| Complexity | 340 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 260.08g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 260.249g/mol |
| Monoisotopic Mass | 260.08g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 92.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number