| CAS Number | 29481-28-5 |
| Catalog Number | AG01A013(AGN-PC-0WO5FY) |
| Chemical Name | 5-CYCLOPROPYLTHIOPHENE-2-CARBOXYLIC ACID |
| IUPAC Name | 5-cyclopropylthiophene-2-carboxylic acid |
| InChI | InChI=1S/C8H8O2S/c9-8(10)7-4-3-6(11-7)5-1-2-5/h3-5H,1-2H2,(H,9,10) |
| InChI Key | VRNOULWNJXYFAU-UHFFFAOYSA-N |
| MDL Number | MFCD06802416 |
| Molecular Formula | C8H8O2S |
| Molecular Weight | 168.2129 |
| SMILES | OC(C1SC(C2CC2)=CC=1)=O |
| Synonyms | 5-cyclopropylthiophene-2-carboxylic acid,
29481-28-5,
2-Thiophenecarboxylic acid, 5-cyclopropyl-,
SCHEMBL15525425,
ZINC22201047,
AKOS004118960,
MCULE-2481130845,
NE47072,
RP23101,
F8889-0905,
|
| Complexity | 177 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 168.025g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 168.21g/mol |
| Monoisotopic Mass | 168.025g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 65.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number