| CAS Number | 1240529-53-6 |
| Catalog Number | AG01A9QV(AGN-PC-0WO4VL) |
| Chemical Name | 2-[5-Methyl-2-(thiophen-3-yl)-1,3-oxazol-4-yl]acetic acid |
| IUPAC Name | 2-(5-methyl-2-thiophen-3-yl-1,3-oxazol-4-yl)acetic acid |
| InChI | InChI=1S/C10H9NO3S/c1-6-8(4-9(12)13)11-10(14-6)7-2-3-15-5-7/h2-3,5H,4H2,1H3,(H,12,13) |
| InChI Key | ZPWGLCHQTGQZEO-UHFFFAOYSA-N |
| MDL Number | MFCD07379191 |
| Molecular Formula | C10H9NO3S |
| Molecular Weight | 223.2484 |
| SMILES | CC1=C(CC(O)=O)N=C(C2=CSC=C2)O1 |
| Synonyms | 2-[5-methyl-2-(thiophen-3-yl)-1,3-oxazol-4-yl]acetic acid,
1240529-53-6,
AC1Q2EZR,
ZINC57218472,
AKOS026727678,
MCULE-1068408352,
NE25683,
EN300-65870,
Z1172115921,
|
| Complexity | 249 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 223.03g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 223.246g/mol |
| Monoisotopic Mass | 223.03g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 91.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.6 |
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Certificate of Analysis
Lot Number