| CAS Number | 1038729-21-3 |
| Catalog Number | AG007FCX(AGN-PC-05FJ00) |
| Chemical Name | 5-(2,4-Dimethylphenyl)Thiophene-2-Carboxylic Acid |
| IUPAC Name | 5-(2,4-dimethylphenyl)thiophene-2-carboxylic acid |
| InChI | InChI=1S/C13H12O2S/c1-8-3-4-10(9(2)7-8)11-5-6-12(16-11)13(14)15/h3-7H,1-2H3,(H,14,15) |
| InChI Key | DPTMNNPYLZJREA-UHFFFAOYSA-N |
| MDL Number | MFCD07375939 |
| Molecular Formula | C13H12O2S |
| Molecular Weight | 232.2982 |
| SMILES | O=C(C1=CC=C(C2=CC=C(C)C=C2C)S1)O |
| Synonyms | 5-(2,4-DIMETHYLPHENYL)THIOPHENE-2-CARBOXYLIC ACID,
1038729-21-3,
ACMC-20989q,
CTK4A2464,
DTXSID00651834,
ANW-14988,
MFCD07375939,
ZINC20432657,
AKOS009252421,
AJ-77506,
AX8229462,
TR-033894,
ST24023713,
Z6700,
A-4299,
I04-2412,
C13H12O2S,
5-(2,4-Dimethylphenyl)thiophene-2-carboxylicacid,
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| Complexity | 267 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 232.056g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 232.297g/mol |
| Monoisotopic Mass | 232.056g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 65.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.9 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number