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19948-73-3 | 2-Propen-1-one, 3,3'-(2,5-thiophenediyl)bis[1-(2-pyridinyl)- (9CI)
CAS No: 19948-73-3 Catalog No: AG002C4Y MDL No:
Product Description
Catalog Number:
AG002C4Y
Chemical Name:
2-Propen-1-one, 3,3'-(2,5-thiophenediyl)bis[1-(2-pyridinyl)- (9CI)
CAS Number:
19948-73-3
Molecular Formula:
C20H14N2O2S
Molecular Weight:
346.4024
IUPAC Name:
3-[5-(3-oxo-3-pyridin-2-ylprop-1-enyl)thiophen-2-yl]-1-pyridin-2-ylprop-2-en-1-one
InChI:
InChI=1S/C20H14N2O2S/c23-19(17-5-1-3-13-21-17)11-9-15-7-8-16(25-15)10-12-20(24)18-6-2-4-14-22-18/h1-14H
InChI Key:
ODPVMTRTDLZMGB-UHFFFAOYSA-N
SMILES:
O=C(c1ccccn1)C=Cc1ccc(s1)C=CC(=O)c1ccccn1
Properties
Complexity:
486
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
346.078g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
346.404g/mol
Monoisotopic Mass:
346.078g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
88.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
2
XLogP3:
3.7
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