| CAS Number | 66493-06-9 |
| Catalog Number | AG00FGH9(AGN-PC-0EH7YG) |
| Chemical Name | 2-Cyclohexyl-1,3-oxazole-4-carboxylic acid |
| IUPAC Name | 2-cyclohexyl-1,3-oxazole-4-carboxylic acid |
| InChI | InChI=1S/C10H13NO3/c12-10(13)8-6-14-9(11-8)7-4-2-1-3-5-7/h6-7H,1-5H2,(H,12,13) |
| InChI Key | IPUFSQMBRLMDOM-UHFFFAOYSA-N |
| MDL Number | MFCD11845269 |
| Molecular Formula | C10H13NO3 |
| Molecular Weight | 195.2151 |
| SMILES | OC(C1N=C(C2CCCCC2)OC=1)=O |
| Synonyms | 2-Cyclohexyl-oxazole-4-carboxylic acid,
66493-06-9,
2-cyclohexyl-1,3-oxazole-4-carboxylic acid,
ZINC51075309,
2-cyclohexyloxazole-4-carboxylic acid,
AKOS011515310,
MCULE-1943637255,
NE39027,
Z1718490611,
|
| Complexity | 213 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 195.09g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 195.218g/mol |
| Monoisotopic Mass | 195.09g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 63.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number