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138895-94-0 | Benzene, 1,3-bis[2-(3-ethynylphenyl)ethenyl]-
CAS No: 138895-94-0 Catalog No: AG0019RO MDL No:
Product Description
Catalog Number:
AG0019RO
Chemical Name:
Benzene, 1,3-bis[2-(3-ethynylphenyl)ethenyl]-
CAS Number:
138895-94-0
Molecular Formula:
C26H18
Molecular Weight:
330.4211
IUPAC Name:
1,3-bis[2-(3-ethynylphenyl)ethenyl]benzene
InChI:
InChI=1S/C26H18/c1-3-21-8-5-10-23(18-21)14-16-25-12-7-13-26(20-25)17-15-24-11-6-9-22(4-2)19-24/h1-2,5-20H
InChI Key:
HOMYOUFNJSDIJW-UHFFFAOYSA-N
SMILES:
C#Cc1cccc(c1)C=Cc1cccc(c1)C=Cc1cccc(c1)C#C
Properties
Complexity:
536
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
330.141g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
330.43g/mol
Monoisotopic Mass:
330.141g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
2
XLogP3:
7
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