| CAS Number | 113589-49-4 |
| Catalog Number | AG019V3F(AGN-PC-000HHB) |
| Chemical Name | 3-methoxy-5-phenylthiophene-2-carboxylic acid |
| IUPAC Name | 3-methoxy-5-phenylthiophene-2-carboxylic acid |
| InChI | InChI=1S/C12H10O3S/c1-15-9-7-10(16-11(9)12(13)14)8-5-3-2-4-6-8/h2-7H,1H3,(H,13,14) |
| InChI Key | SHXNBNKHMSBRTL-UHFFFAOYSA-N |
| MDL Number | MFCD12197016 |
| Molecular Formula | C12H10O3S |
| Molecular Weight | 234.2710 |
| SMILES | COC1=C(C(O)=O)SC(C2=CC=CC=C2)=C1 |
| Synonyms | 3-methoxy-5-phenylthiophene-2-carboxylic acid,
113589-49-4,
AC1Q47AE,
SCHEMBL10447802,
CTK6J9636,
ZINC34238065,
AKOS022659061,
MCULE-1803688852,
NE26448,
EN300-43618,
Z594038268,
|
| Complexity | 251 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 234.035g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 234.269g/mol |
| Monoisotopic Mass | 234.035g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 74.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number