| CAS Number | 1266822-87-0 |
| Catalog Number | AG01A34E(AGN-PC-0WO5F6) |
| Chemical Name | 4-Cyclopropyl-1,3-thiazole-5-carboxylic acid |
| IUPAC Name | 4-cyclopropyl-1,3-thiazole-5-carboxylic acid |
| InChI | InChI=1S/C7H7NO2S/c9-7(10)6-5(4-1-2-4)8-3-11-6/h3-4H,1-2H2,(H,9,10) |
| InChI Key | WKJZCJVCVKTKBR-UHFFFAOYSA-N |
| MDL Number | MFCD19282048 |
| Molecular Formula | C7H7NO2S |
| Molecular Weight | 169.2010 |
| SMILES | C1CC1C2=C(C(=O)O)SC=N2 |
| Synonyms | 1266822-87-0,
4-cyclopropyl-1,3-thiazole-5-carboxylic acid,
4-cyclopropylthiazole-5-carboxylicacid,
ZINC62467008,
AKOS022463952,
MCULE-5105391043,
NE27017,
4-Cyclopropylthiazole-5-carboxylic acid,
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| Complexity | 181 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 169.01975g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 169.2g/mol |
| Monoisotopic Mass | 169.01975g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 78.4Ų |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.4 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number