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141767-98-8 | [1,1':4',1''-Terphenyl]-4,4''-diol, 2',5'-dihexyl- (9CI)
CAS No: 141767-98-8 Catalog No: AG001H0E MDL No:
Product Description
Catalog Number:
AG001H0E
Chemical Name:
[1,1':4',1''-Terphenyl]-4,4''-diol, 2',5'-dihexyl- (9CI)
CAS Number:
141767-98-8
Molecular Formula:
C30H38O2
Molecular Weight:
430.6215
IUPAC Name:
4-[2,5-dihexyl-4-(4-hydroxyphenyl)phenyl]phenol
InChI:
InChI=1S/C30H38O2/c1-3-5-7-9-11-25-21-30(24-15-19-28(32)20-16-24)26(12-10-8-6-4-2)22-29(25)23-13-17-27(31)18-14-23/h13-22,31-32H,3-12H2,1-2H3
InChI Key:
ZAHHBAXJGQKJAW-UHFFFAOYSA-N
SMILES:
CCCCCCc1cc(c2ccc(cc2)O)c(cc1c1ccc(cc1)O)CCCCCC
Properties
Complexity:
431
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
430.287g/mol
Formal Charge:
0
Heavy Atom Count:
32
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
430.632g/mol
Monoisotopic Mass:
430.287g/mol
Rotatable Bond Count:
12
Topological Polar Surface Area:
40.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
10.4
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