| CAS Number | 1094230-05-3 |
| Catalog Number | AG0099BM(AGN-PC-0WBPRG) |
| Chemical Name | 2-Cyclopropyl-1,3-thiazole-5-carboxylic acid |
| IUPAC Name | 2-cyclopropyl-1,3-thiazole-5-carboxylic acid |
| InChI | InChI=1S/C7H7NO2S/c9-7(10)5-3-8-6(11-5)4-1-2-4/h3-4H,1-2H2,(H,9,10) |
| InChI Key | CMLJGFNWFOWZBQ-UHFFFAOYSA-N |
| MDL Number | MFCD11208434 |
| Molecular Formula | C7H7NO2S |
| Molecular Weight | 169.2010 |
| SMILES | O=C(C1=CN=C(C2CC2)S1)O |
| Synonyms | 2-cyclopropyl-1,3-thiazole-5-carboxylic acid,
1094230-05-3,
2-Cyclopropylthiazole-5-carboxylic acid,
5-Carboxy-2-cyclopropyl-1,3-thiazole,
AC1Q73ZC,
SCHEMBL16703224,
DTXSID50655605,
MFCD11208434,
ZINC36930129,
AKOS009332494,
MCULE-6926267225,
NE51322,
PS-11796,
SC-34889,
FT-0749143,
EN300-70040,
F8880-3851,
Z1259273111,
2-cyclopropyl-5-Thiazolecarboxylic 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 | 169.02g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 169.198g/mol |
| Monoisotopic Mass | 169.02g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 78.4A^2 |
| 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