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26473-83-6 | 2-Propen-1-one, 3,3'-(1,4-phenylene)bis[1-(2-thienyl)-
CAS No: 26473-83-6 Catalog No: AG002TCR MDL No:
Product Description
Catalog Number:
AG002TCR
Chemical Name:
2-Propen-1-one, 3,3'-(1,4-phenylene)bis[1-(2-thienyl)-
CAS Number:
26473-83-6
Molecular Formula:
C20H14O2S2
Molecular Weight:
350.4540
IUPAC Name:
3-[4-(3-oxo-3-thiophen-2-ylprop-1-enyl)phenyl]-1-thiophen-2-ylprop-2-en-1-one
InChI:
InChI=1S/C20H14O2S2/c21-17(19-3-1-13-23-19)11-9-15-5-7-16(8-6-15)10-12-18(22)20-4-2-14-24-20/h1-14H
InChI Key:
QVTJQKLMMVEDRQ-UHFFFAOYSA-N
SMILES:
O=C(c1cccs1)C=Cc1ccc(cc1)C=CC(=O)c1cccs1
Properties
Complexity:
458
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
350.044g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
350.45g/mol
Monoisotopic Mass:
350.044g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
90.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
2
XLogP3:
5.5
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