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155827-34-2 | Thiophene, 3-[(1E)-2-(4-methoxyphenyl)ethenyl]-
CAS No: 155827-34-2 Catalog No: AG001O8M MDL No:
Product Description
Catalog Number:
AG001O8M
Chemical Name:
Thiophene, 3-[(1E)-2-(4-methoxyphenyl)ethenyl]-
CAS Number:
155827-34-2
Molecular Formula:
C13H12OS
Molecular Weight:
216.2988
IUPAC Name:
3-[2-(4-methoxyphenyl)ethenyl]thiophene
InChI:
InChI=1S/C13H12OS/c1-14-13-6-4-11(5-7-13)2-3-12-8-9-15-10-12/h2-10H,1H3
InChI Key:
CUEHRJUKAGPKGZ-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)/C=C/c1cscc1
Properties
Complexity:
207
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
216.061g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
216.298g/mol
Monoisotopic Mass:
216.061g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
37.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
3.8
Literature
| Title | Journal |
|---|---|
| Styrylheterocycles as a novel class inhibitor of cyclooxygenase-2-mediated prostaglandin E(2) production. | Bioorganic & medicinal chemistry letters 20040503 |
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