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80819-43-8 | Thiophene, 2-[2-(9-phenanthrenyl)ethenyl]-
CAS No: 80819-43-8 Catalog No: AG005IP5 MDL No:
Product Description
Catalog Number:
AG005IP5
Chemical Name:
Thiophene, 2-[2-(9-phenanthrenyl)ethenyl]-
CAS Number:
80819-43-8
Molecular Formula:
C20H14S
Molecular Weight:
286.3902
IUPAC Name:
2-(2-phenanthren-9-ylethenyl)thiophene
InChI:
InChI=1S/C20H14S/c1-2-8-18-15(6-1)14-16(11-12-17-7-5-13-21-17)19-9-3-4-10-20(18)19/h1-14H
InChI Key:
DBMOPDZJKVGNGT-UHFFFAOYSA-N
SMILES:
c1csc(c1)C=Cc1cc2ccccc2c2c1cccc2
Properties
Complexity:
374
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
286.082g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
286.392g/mol
Monoisotopic Mass:
286.082g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
28.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
6.4
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