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4221-68-5 | 4,4'-(Cyclohexane-1,1-diyl)bis(2-cyclohexylphenol)
CAS No: 4221-68-5 Catalog No: AG003D7P MDL No:
Product Description
Catalog Number:
AG003D7P
Chemical Name:
4,4'-(Cyclohexane-1,1-diyl)bis(2-cyclohexylphenol)
CAS Number:
4221-68-5
Molecular Formula:
C30H40O2
Molecular Weight:
432.6374
IUPAC Name:
2-cyclohexyl-4-[1-(3-cyclohexyl-4-hydroxyphenyl)cyclohexyl]phenol
InChI:
InChI=1S/C30H40O2/c31-28-16-14-24(20-26(28)22-10-4-1-5-11-22)30(18-8-3-9-19-30)25-15-17-29(32)27(21-25)23-12-6-2-7-13-23/h14-17,20-23,31-32H,1-13,18-19H2
InChI Key:
DNCLEPRFPJLBTQ-UHFFFAOYSA-N
SMILES:
Oc1ccc(cc1C1CCCCC1)C1(CCCCC1)c1ccc(c(c1)C1CCCCC1)O
UNII:
4KE1SHW73I
Properties
Complexity:
525
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
432.303g/mol
Formal Charge:
0
Heavy Atom Count:
32
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
432.648g/mol
Monoisotopic Mass:
432.303g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
40.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
10.5
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