| CAS Number | 113589-47-2 |
| Catalog Number | AG019V3G(AGN-PC-000HH9) |
| Chemical Name | 3-ethoxy-5-phenylthiophene-2-carboxylic acid |
| IUPAC Name | 3-ethoxy-5-phenylthiophene-2-carboxylic acid |
| InChI | InChI=1S/C13H12O3S/c1-2-16-10-8-11(17-12(10)13(14)15)9-6-4-3-5-7-9/h3-8H,2H2,1H3,(H,14,15) |
| InChI Key | MOYWXOIHUAIRAN-UHFFFAOYSA-N |
| MDL Number | MFCD12197017 |
| Molecular Formula | C13H12O3S |
| Molecular Weight | 248.2976 |
| SMILES | CCOC1=C(C(O)=O)SC(C2=CC=CC=C2)=C1 |
| Synonyms | 3-ethoxy-5-phenylthiophene-2-carboxylic acid,
113589-47-2,
AC1Q35Z0,
SCHEMBL9826543,
CTK6G1333,
MOYWXOIHUAIRAN-UHFFFAOYSA-N,
ZINC34238063,
AKOS034477000,
MCULE-7449552189,
NE15474,
NCGC00327942-01,
3-Ethoxy-5-phenyl-2-thiophenecarboxylic acid,
EN300-43619,
AB01323838-02,
Z594038212,
|
| Complexity | 263 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 248.051g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 248.296g/mol |
| Monoisotopic Mass | 248.051g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 74.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number