| CAS Number | 104149-63-5 |
| Catalog Number | AG01A983(AGN-PC-082NPK) |
| Chemical Name | Methyl 4-benzoyl-5-methyl-1,2-oxazole-3-carboxylate |
| IUPAC Name | methyl 4-benzoyl-5-methyl-1,2-oxazole-3-carboxylate |
| InChI | InChI=1S/C13H11NO4/c1-8-10(11(14-18-8)13(16)17-2)12(15)9-6-4-3-5-7-9/h3-7H,1-2H3 |
| InChI Key | SWXYJRINEROENV-UHFFFAOYSA-N |
| MDL Number | MFCD16547672 |
| Molecular Formula | C13H11NO4 |
| Molecular Weight | 245.2307 |
| SMILES | COC(C1C(C(C2=CC=CC=C2)=O)=C(C)ON=1)=O |
| Synonyms | methyl 4-benzoyl-5-methyl-1,2-oxazole-3-carboxylate,
104149-63-5,
AC1Q43TV,
ZINC47844212,
AKOS033191357,
MCULE-8393178419,
NE23657,
EN300-64436,
Z1250100753,
4-Benzoyl-5-methylisoxazole-3-carboxylic acid methyl ester,
|
| Complexity | 325 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 245.069g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 245.234g/mol |
| Monoisotopic Mass | 245.069g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 69.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.3 |
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Certificate of Analysis
Lot Number