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13225-62-2 | Benzene, 1,1'-(1,7-octadiyne-1,8-diyl)bis-
CAS No: 13225-62-2 Catalog No: AG0010G2 MDL No:
Product Description
Catalog Number:
AG0010G2
Chemical Name:
Benzene, 1,1'-(1,7-octadiyne-1,8-diyl)bis-
CAS Number:
13225-62-2
Molecular Formula:
C20H18
Molecular Weight:
258.3569
IUPAC Name:
8-phenylocta-1,7-diynylbenzene
InChI:
InChI=1S/C20H18/c1(3-7-13-19-15-9-5-10-16-19)2-4-8-14-20-17-11-6-12-18-20/h5-6,9-12,15-18H,1-4H2
InChI Key:
WRAUIFZBNJLIKX-UHFFFAOYSA-N
SMILES:
C(CC#Cc1ccccc1)CCC#Cc1ccccc1
Properties
Complexity:
339
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
258.141g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
258.364g/mol
Monoisotopic Mass:
258.141g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6
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