| CAS Number | 1016526-89-8 |
| Catalog Number | AG019NHS(AGN-PC-0WOBOV) |
| Chemical Name | 5-methyl-2-(thiophen-2-yl)-1,3-oxazole-4-carboxylic acid |
| IUPAC Name | 5-methyl-2-thiophen-2-yl-1,3-oxazole-4-carboxylic acid |
| InChI | InChI=1S/C9H7NO3S/c1-5-7(9(11)12)10-8(13-5)6-3-2-4-14-6/h2-4H,1H3,(H,11,12) |
| InChI Key | OEGSXMHEARRXEI-UHFFFAOYSA-N |
| MDL Number | MFCD07379263 |
| Molecular Formula | C9H7NO3S |
| Molecular Weight | 209.2218 |
| SMILES | CC1=C(C(O)=O)N=C(C2SC=CC=2)O1 |
| Synonyms | 5-methyl-2-(thiophen-2-yl)-1,3-oxazole-4-carboxylic acid,
1016526-89-8,
5-methyl-2-thien-2-yl-1,3-oxazole-4-carboxylic acid,
AC1Q2FMV,
CTK7J0880,
ZINC19387282,
AKOS000160061,
MCULE-7956485119,
NE52493,
EN300-40459,
AB01001388-01,
Z415636820,
|
| Complexity | 236 |
| 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 | 2 |
| Topological Polar Surface Area | 91.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number