| CAS Number | 1333695-51-4 |
| Catalog Number | AG01AIVP(AGN-PC-0WOCJB) |
| Chemical Name | [2-(thiophen-2-yl)-1,3-oxazol-5-yl]methanol |
| IUPAC Name | (2-thiophen-2-yl-1,3-oxazol-5-yl)methanol |
| InChI | InChI=1S/C8H7NO2S/c10-5-6-4-9-8(11-6)7-2-1-3-12-7/h1-4,10H,5H2 |
| InChI Key | BAEODGXBHHBFIF-UHFFFAOYSA-N |
| MDL Number | MFCD19686237 |
| Molecular Formula | C8H7NO2S |
| Molecular Weight | 181.2117 |
| SMILES | OCC1OC(C2SC=CC=2)=NC=1 |
| Synonyms | [2-(thiophen-2-yl)-1,3-oxazol-5-yl]methanol,
1333695-51-4,
ZINC68593399,
AKOS026730126,
MCULE-1720732471,
NE33070,
EN300-79147,
Z1250132389,
|
| Complexity | 156 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 181.02g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 181.209g/mol |
| Monoisotopic Mass | 181.02g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 74.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number