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100516-61-8 | Benzene, 1,2,3,4,5,6-hexaethynyl-
CAS No: 100516-61-8 Catalog No: AG00027K MDL No:
Product Description
Catalog Number:
AG00027K
Chemical Name:
Benzene, 1,2,3,4,5,6-hexaethynyl-
CAS Number:
100516-61-8
Molecular Formula:
C18H6
Molecular Weight:
222.2402
IUPAC Name:
1,2,3,4,5,6-hexaethynylbenzene
InChI:
InChI=1S/C18H6/c1-7-13-14(8-2)16(10-4)18(12-6)17(11-5)15(13)9-3/h1-6H
InChI Key:
VXFRCHRNRILBMZ-UHFFFAOYSA-N
SMILES:
C#Cc1c(C#C)c(C#C)c(c(c1C#C)C#C)C#C
Properties
Complexity:
465
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
222.047g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
222.246g/mol
Monoisotopic Mass:
222.047g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
Literature
| Title | Journal |
|---|---|
| Architecture of graphdiyne nanoscale films. | Chemical communications (Cambridge, England) 20100521 |
| Total carbo-mer of benzene, its carbo-trannulene form, and the zigzag nanotube thereof. | The Journal of organic chemistry 20060818 |
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