| CAS Number | 1082414-36-5 |
| Catalog Number | AG01AB4Y(AGN-PC-0WO86T) |
| Chemical Name | 2-[2-(thiophen-2-yl)-1,3-oxazol-4-yl]acetic acid |
| IUPAC Name | 2-(2-thiophen-2-yl-1,3-oxazol-4-yl)acetic acid |
| InChI | InChI=1S/C9H7NO3S/c11-8(12)4-6-5-13-9(10-6)7-2-1-3-14-7/h1-3,5H,4H2,(H,11,12) |
| InChI Key | KYLXRJJKQSNTHJ-UHFFFAOYSA-N |
| MDL Number | MFCD11587880 |
| Molecular Formula | C9H7NO3S |
| Molecular Weight | 209.2218 |
| SMILES | OC(CC1N=C(C2SC=CC=2)OC=1)=O |
| Synonyms | 2-[2-(thiophen-2-yl)-1,3-oxazol-4-yl]acetic acid,
1082414-36-5,
AC1Q750F,
ZINC19723062,
AKOS022220019,
MCULE-1764801013,
NE21222,
EN300-70488,
Z1171978814,
|
| Complexity | 224 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 209.015g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 209.219g/mol |
| Monoisotopic Mass | 209.015g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 91.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number