| CAS Number | 1461706-86-4 |
| Catalog Number | AG01A5IP(AGN-PC-0WO22R) |
| Chemical Name | 4-Cyclopentyl-1,3-thiazole-5-carboxylic acid |
| IUPAC Name | 4-cyclopentyl-1,3-thiazole-5-carboxylic acid |
| InChI | InChI=1S/C9H11NO2S/c11-9(12)8-7(10-5-13-8)6-3-1-2-4-6/h5-6H,1-4H2,(H,11,12) |
| InChI Key | JAMCGOPCUMNCPA-UHFFFAOYSA-N |
| MDL Number | MFCD26407546 |
| Molecular Formula | C9H11NO2S |
| Molecular Weight | 197.2541 |
| SMILES | OC(C1=C(C2CCCC2)N=CS1)=O |
| Synonyms | 4-cyclopentyl-1,3-thiazole-5-carboxylic acid,
1461706-86-4,
ZINC84361175,
AKOS023419198,
NE23822,
|
| Complexity | 204 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 197.051g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 197.252g/mol |
| Monoisotopic Mass | 197.051g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 78.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.5 |
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Certificate of Analysis
Lot Number