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69656-36-6 | 2-Propen-1-one, 3-phenyl-1-(2-thienyl)-, (2Z)-
CAS No: 69656-36-6 Catalog No: AG005JNU MDL No:
Product Description
Catalog Number:
AG005JNU
Chemical Name:
2-Propen-1-one, 3-phenyl-1-(2-thienyl)-, (2Z)-
CAS Number:
69656-36-6
Molecular Formula:
C13H10OS
Molecular Weight:
214.2829
IUPAC Name:
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
InChI Key:
DDNPADUKGZMCHV-UHFFFAOYSA-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:
0
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:
1
XLogP3:
3.7
Literature
| Title | Journal |
|---|---|
| Microsphere-based protease assays and screening application for lethal factor and factor Xa. | Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501 |
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