| CAS Number | 113589-51-8 |
| Catalog Number | AG019V40(AGN-PC-000HHC) |
| Chemical Name | 3-(benzyloxy)-5-phenylthiophene-2-carboxylic acid |
| IUPAC Name | 5-phenyl-3-phenylmethoxythiophene-2-carboxylic acid |
| InChI | InChI=1S/C18H14O3S/c19-18(20)17-15(21-12-13-7-3-1-4-8-13)11-16(22-17)14-9-5-2-6-10-14/h1-11H,12H2,(H,19,20) |
| InChI Key | XAWMCAWSRFMDJA-UHFFFAOYSA-N |
| MDL Number | MFCD11858119 |
| Molecular Formula | C18H14O3S |
| Molecular Weight | 310.3670 |
| SMILES | OC(C1=C(OCC2=CC=CC=C2)C=C(C2=CC=CC=C2)S1)=O |
| Synonyms | 3-(benzyloxy)-5-phenylthiophene-2-carboxylic acid,
113589-51-8,
AC1Q72KD,
CTK7J1357,
ZINC32625244,
AKOS034361292,
MCULE-3459122470,
NE39595,
EN300-43662,
Z449368998,
|
| Complexity | 361 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 310.066g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 22 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 310.367g/mol |
| Monoisotopic Mass | 310.066g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 74.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number