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178426-66-9 | 1,1':4',1''-Terphenyl, 2',5'-dihexyl-
CAS No: 178426-66-9 Catalog No: AG00261M MDL No:
Product Description
Catalog Number:
AG00261M
Chemical Name:
1,1':4',1''-Terphenyl, 2',5'-dihexyl-
CAS Number:
178426-66-9
Molecular Formula:
C30H38
Molecular Weight:
398.6227
IUPAC Name:
1,4-dihexyl-2,5-diphenylbenzene
InChI:
InChI=1S/C30H38/c1-3-5-7-11-21-27-23-30(26-19-15-10-16-20-26)28(22-12-8-6-4-2)24-29(27)25-17-13-9-14-18-25/h9-10,13-20,23-24H,3-8,11-12,21-22H2,1-2H3
InChI Key:
BUXBCINMOHHEEW-UHFFFAOYSA-N
SMILES:
CCCCCCc1cc(c2ccccc2)c(cc1c1ccccc1)CCCCCC
Properties
Complexity:
374
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
398.297g/mol
Formal Charge:
0
Heavy Atom Count:
30
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
398.634g/mol
Monoisotopic Mass:
398.297g/mol
Rotatable Bond Count:
12
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
11.1
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