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137444-52-1 | 2-Propen-1-one, 3-(3,4-dimethoxyphenyl)-1-(2-thienyl)-, (2E)-
CAS No: 137444-52-1 Catalog No: AG0013A2 MDL No:
Product Description
Catalog Number:
AG0013A2
Chemical Name:
2-Propen-1-one, 3-(3,4-dimethoxyphenyl)-1-(2-thienyl)-, (2E)-
CAS Number:
137444-52-1
Molecular Formula:
C15H14O3S
Molecular Weight:
274.3349
IUPAC Name:
3-(3,4-dimethoxyphenyl)-1-thiophen-2-ylprop-2-en-1-one
InChI:
InChI=1S/C15H14O3S/c1-17-13-8-6-11(10-14(13)18-2)5-7-12(16)15-4-3-9-19-15/h3-10H,1-2H3
InChI Key:
FLHBTIDYDRABCO-UHFFFAOYSA-N
SMILES:
COc1cc(/C=C/C(=O)c2cccs2)ccc1OC
Properties
Complexity:
329
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
274.066g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
274.334g/mol
Monoisotopic Mass:
274.066g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
63.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
3.6
Literature
| Title | Journal |
|---|---|
| (E)-3-(3,4-Dimethoxy-phen-yl)-1-(2-thien-yl)prop-2-en-1-one. | Acta crystallographica. Section E, Structure reports online 20080801 |
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