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42811-88-1 |
CAS No: 42811-88-1 Catalog No: AG01FMY8 MDL No:
Product Description
Catalog Number:
AG01FMY8
CAS Number:
42811-88-1
IUPAC Name:
(E)-1,3-dithiophen-2-ylprop-2-en-1-one
InChI:
InChI=1S/C11H8OS2/c12-10(11-4-2-8-14-11)6-5-9-3-1-7-13-9/h1-8H/b6-5+
InChI Key:
WCAGHDMFZMUUPQ-AATRIKPKSA-N
EC Number:
218-993-6
NSC Number:
54863
Properties
Complexity:
237
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
220.002g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
220.304g/mol
Monoisotopic Mass:
220.002g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
73.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
Literature
| Title | Journal |
|---|---|
| Simple aromatic compounds containing propenone moiety show considerable dual COX/5-LOX inhibitory activities. | Bioorganic & medicinal chemistry letters 20040517 |
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