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17531-24-7 | Benzene, 1,1'-(3-hexene-1,5-diyne-1,6-diyl)bis-
CAS No: 17531-24-7 Catalog No: AG0020WE MDL No:
Product Description
Catalog Number:
AG0020WE
Chemical Name:
Benzene, 1,1'-(3-hexene-1,5-diyne-1,6-diyl)bis-
CAS Number:
17531-24-7
Molecular Formula:
C18H12
Molecular Weight:
228.2879
IUPAC Name:
6-phenylhex-3-en-1,5-diynylbenzene
InChI:
InChI=1S/C18H12/c1(5-11-17-13-7-3-8-14-17)2-6-12-18-15-9-4-10-16-18/h1-4,7-10,13-16H
InChI Key:
ZZOLVPYFGLQRQS-UHFFFAOYSA-N
SMILES:
c1ccc(cc1)C#CC=CC#Cc1ccccc1
Properties
Complexity:
348
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
228.094g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
228.294g/mol
Monoisotopic Mass:
228.094g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
5.8
Literature
| Title | Journal |
|---|---|
| Use of N-methylformamide as a solvent in indium-promoted Barbier reactions en route to enediyne and epoxy diyne formation: comparison of rate and stereoselectivity in C-C bond-forming reactions with water. | The Journal of organic chemistry 20090821 |
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