| CAS Number | 1018584-41-2 |
| Catalog Number | AG01APK7(AGN-PC-0WCO71) |
| Chemical Name | 2-(5-(4-Methoxyphenyl)isoxazol-3-yl)acetic acid |
| IUPAC Name | 2-[5-(4-methoxyphenyl)-1,2-oxazol-3-yl]acetic acid |
| InChI | InChI=1S/C12H11NO4/c1-16-10-4-2-8(3-5-10)11-6-9(13-17-11)7-12(14)15/h2-6H,7H2,1H3,(H,14,15) |
| InChI Key | URKMXHVELQPCLR-UHFFFAOYSA-N |
| MDL Number | MFCD10036152 |
| Molecular Formula | C12H11NO4 |
| Molecular Weight | 233.2200 |
| SMILES | COC1=CC=C(C2ON=C(CC(O)=O)C=2)C=C1 |
| Synonyms | [5-(4-methoxyphenyl)isoxazol-3-yl]acetic acid,
1018584-41-2,
2-(5-(4-methoxyphenyl)isoxazol-3-yl)acetic acid,
ZINC20270422,
AKOS022212409,
MCULE-3658182956,
L-4087,
[5-(4-methoxyphenyl)-1,2-oxazol-3-yl]acetic acid,
F2161-0026,
2-[5-(4-methoxyphenyl)-1,2-oxazol-3-yl]acetic acid,
N/A,
|
| Complexity | 263 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 233.069g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 233.223g/mol |
| Monoisotopic Mass | 233.069g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 72.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number