Ethyl 5-(4-ethoxyphenyl)thiophene-2-carboxylate - CAS 952958-85-9
Catalog: |
BB065853 |
Product Name: |
Ethyl 5-(4-ethoxyphenyl)thiophene-2-carboxylate |
CAS: |
952958-85-9 |
Synonyms: |
ethyl 5-(4-ethoxyphenyl)thiophene-2-carboxylate |
IUPAC Name: | ethyl 5-(4-ethoxyphenyl)thiophene-2-carboxylate |
Description: | Ethyl 5-(4-ethoxyphenyl)thiophene-2-carboxylate |
Molecular Weight: | 276.35 |
Molecular Formula: | C15H16O3S |
Canonical SMILES: | CCOC1=CC=C(C=C1)C2=CC=C(S2)C(=O)OCC |
InChI: | InChI=1S/C15H16O3S/c1-3-17-12-7-5-11(6-8-12)13-9-10-14(19-13)15(16)18-4-2/h5-10H,3-4H2,1-2H3 |
InChI Key: | FKIIFIISVCUEMN-UHFFFAOYSA-N |
Complexity: | 287 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 276.08201554 |
Formal Charge: | 0 |
Heavy Atom Count: | 19 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 276.08201554 |
Rotatable Bond Count: | 6 |
Topological Polar Surface Area: | 63.8Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 4.2 |
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