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137620-37-2 | Anthracene, 9,9'-(1,3,5,7-octatetraene-1,8-diyl)bis-
CAS No: 137620-37-2 Catalog No: AG0013N9 MDL No:
Product Description
Catalog Number:
AG0013N9
Chemical Name:
Anthracene, 9,9'-(1,3,5,7-octatetraene-1,8-diyl)bis-
CAS Number:
137620-37-2
Molecular Formula:
C36H26
Molecular Weight:
458.5916
IUPAC Name:
9-(8-anthracen-9-ylocta-1,3,5,7-tetraenyl)anthracene
InChI:
InChI=1S/C36H26/c1(3-5-23-35-31-19-11-7-15-27(31)25-28-16-8-12-20-32(28)35)2-4-6-24-36-33-21-13-9-17-29(33)26-30-18-10-14-22-34(30)36/h1-26H
InChI Key:
DKWBUGSDFWUVEW-UHFFFAOYSA-N
SMILES:
C(=CC=Cc1c2ccccc2cc2c1cccc2)C=CC=Cc1c2ccccc2cc2c1cccc2
Properties
Complexity:
700
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
458.203g/mol
Formal Charge:
0
Heavy Atom Count:
36
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
458.604g/mol
Monoisotopic Mass:
458.203g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
4
XLogP3:
11.1
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