| CAS Number | 29488-31-1 |
| Catalog Number | AG019W8L(AGN-PC-0WO6Q0) |
| Chemical Name | 3-(propan-2-yl)thiophene-2-carboxylic acid |
| IUPAC Name | 3-propan-2-ylthiophene-2-carboxylic acid |
| InChI | InChI=1S/C8H10O2S/c1-5(2)6-3-4-11-7(6)8(9)10/h3-5H,1-2H3,(H,9,10) |
| InChI Key | CGMGPCMCOGRNSC-UHFFFAOYSA-N |
| MDL Number | MFCD12912914 |
| Molecular Formula | C8H10O2S |
| Molecular Weight | 170.2288 |
| SMILES | O=C(C1=C(C(C)C)C=CS1)O |
| Synonyms | 3-(propan-2-yl)thiophene-2-carboxylic acid,
29488-31-1,
AC1Q1OG4,
2-Thiophenecarboxylic acid, 3-(1-methylethyl)-,
SCHEMBL2820229,
CTK6A5915,
ZINC38342013,
AKOS010148558,
MCULE-1015626634,
NE40350,
EN300-51047,
AB01005621-01,
Z803145422,
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| Complexity | 156 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 170.04g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 170.226g/mol |
| Monoisotopic Mass | 170.04g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 65.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.6 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number