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16716-13-5 | 1,1':3',1'':3'',1''':3''',1''''-Quinquephenyl
CAS No: 16716-13-5 Catalog No: AG001X6V MDL No:
Product Description
Catalog Number:
AG001X6V
Chemical Name:
1,1':3',1'':3'',1''':3''',1''''-Quinquephenyl
CAS Number:
16716-13-5
Molecular Formula:
C30H22
Molecular Weight:
382.4957
IUPAC Name:
1,3-bis(3-phenylphenyl)benzene
InChI:
InChI=1S/C30H22/c1-3-10-23(11-4-1)25-14-7-16-27(20-25)29-18-9-19-30(22-29)28-17-8-15-26(21-28)24-12-5-2-6-13-24/h1-22H
InChI Key:
XQCZQOSQCGDDPQ-UHFFFAOYSA-N
SMILES:
c1ccc(cc1)c1cccc(c1)c1cccc(c1)c1cccc(c1)c1ccccc1
EC Number:
240-774-9
NSC Number:
90722
Properties
Complexity:
452
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
382.172g/mol
Formal Charge:
0
Heavy Atom Count:
30
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
382.506g/mol
Monoisotopic Mass:
382.172g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
8.4
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