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88020-02-4 | Anthracene, 9,10-bis[(4-octylphenyl)ethynyl]-
CAS No: 88020-02-4 Catalog No: AG004NOQ MDL No:
Product Description
Catalog Number:
AG004NOQ
Chemical Name:
Anthracene, 9,10-bis[(4-octylphenyl)ethynyl]-
CAS Number:
88020-02-4
Molecular Formula:
C46H50
Molecular Weight:
602.8892
IUPAC Name:
9,10-bis[2-(4-octylphenyl)ethynyl]anthracene
InChI:
InChI=1S/C46H50/c1-3-5-7-9-11-13-19-37-25-29-39(30-26-37)33-35-45-41-21-15-17-23-43(41)46(44-24-18-16-22-42(44)45)36-34-40-31-27-38(28-32-40)20-14-12-10-8-6-4-2/h15-18,21-32H,3-14,19-20H2,1-2H3
InChI Key:
XAMSREXGFXRHLD-UHFFFAOYSA-N
SMILES:
CCCCCCCCc1ccc(cc1)C#Cc1c2ccccc2c(c2c1cccc2)C#Cc1ccc(cc1)CCCCCCCC
Properties
Complexity:
857
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
602.391g/mol
Formal Charge:
0
Heavy Atom Count:
46
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
602.906g/mol
Monoisotopic Mass:
602.391g/mol
Rotatable Bond Count:
18
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
16.6
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