| CAS Number | 1368184-98-8 |
| Catalog Number | AG01BWI0 |
| Chemical Name | 3-cyclopentyl-1,2-oxazole-4-carboxylic acid |
| IUPAC Name | 3-cyclopentyl-1,2-oxazole-4-carboxylic acid |
| InChI | InChI=1S/C9H11NO3/c11-9(12)7-5-13-10-8(7)6-3-1-2-4-6/h5-6H,1-4H2,(H,11,12) |
| InChI Key | NNBFGEVNXANMDE-UHFFFAOYSA-N |
| MDL Number | MFCD22064867 |
| Molecular Formula | C9H11NO3 |
| Molecular Weight | 181.1885 |
| SMILES | OC(C1=CON=C1C2CCCC2)=O |
| Synonyms | 3-cyclopentyl-1,2-oxazole-4-carboxylic acid,
1368184-98-8,
ZINC82396105,
AKOS022706583,
Z2740003220,
|
| Complexity | 201 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 181.074g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 181.191g/mol |
| Monoisotopic Mass | 181.074g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 63.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number