| CAS Number | 77756-28-6 |
| Catalog Number | AG01BGOR(AGN-PC-0WOTI6) |
| Chemical Name | 2-Ethylthiophene-3-carboxylic acid |
| IUPAC Name | 2-ethylthiophene-3-carboxylic acid |
| InChI | InChI=1S/C7H8O2S/c1-2-6-5(7(8)9)3-4-10-6/h3-4H,2H2,1H3,(H,8,9) |
| InChI Key | LMXGLAZELVIQOB-UHFFFAOYSA-N |
| MDL Number | MFCD01859969 |
| Molecular Formula | C7H8O2S |
| Molecular Weight | 156.2022 |
| SMILES | CCC1=C(C(O)=O)C=CS1 |
| Synonyms | 2-ethylthiophene-3-carboxylic acid,
2-ethyl-3-thiophenecarboxylic acid,
77756-28-6,
SCHEMBL3810061,
ethyl-3-thiophenecarboxylic acid,
CTK6D3037,
SBB087164,
ZINC20032378,
AKOS006277128,
|
| Complexity | 136 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 156.025g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 156.199g/mol |
| Monoisotopic Mass | 156.025g/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