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3988-77-0 | 3-Phenyl-1-(thiophen-2-yl)prop-2-en-1-one
CAS No: 3988-77-0 Catalog No: AG003H3P MDL No:MFCD00059742
Product Description
Catalog Number:
AG003H3P
Chemical Name:
3-Phenyl-1-(thiophen-2-yl)prop-2-en-1-one
CAS Number:
3988-77-0
Molecular Formula:
C13H10OS
Molecular Weight:
214.2829
MDL Number:
MFCD00059742
IUPAC Name:
(E)-3-phenyl-1-thiophen-2-ylprop-2-en-1-one
InChI:
InChI=1S/C13H10OS/c14-12(13-7-4-10-15-13)9-8-11-5-2-1-3-6-11/h1-10H/b9-8+
InChI Key:
DDNPADUKGZMCHV-CMDGGOBGSA-N
SMILES:
O=C(c1cccs1)/C=C/c1ccccc1
Properties
Complexity:
241
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
214.045g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
214.282g/mol
Monoisotopic Mass:
214.045g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
45.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
Literature
| Title | Journal |
|---|---|
| Ferrocenyl chalcones versus organic chalcones: a comparative study of their nematocidal activity. | Bioorganic & medicinal chemistry 20110315 |
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