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114216-05-6 | Phenol, 4,4'-(4-hydroxycyclohexylidene)bis-
CAS No: 114216-05-6 Catalog No: AG000ATV MDL No:
Product Description
Catalog Number:
AG000ATV
Chemical Name:
Phenol, 4,4'-(4-hydroxycyclohexylidene)bis-
CAS Number:
114216-05-6
Molecular Formula:
C18H20O3
Molecular Weight:
284.3496
IUPAC Name:
4-[4-hydroxy-1-(4-hydroxyphenyl)cyclohexyl]phenol
InChI:
InChI=1S/C18H20O3/c19-15-5-1-13(2-6-15)18(11-9-17(21)10-12-18)14-3-7-16(20)8-4-14/h1-8,17,19-21H,9-12H2
InChI Key:
JTJBAXVMAPZCOD-UHFFFAOYSA-N
SMILES:
OC1CCC(CC1)(c1ccc(cc1)O)c1ccc(cc1)O
Properties
Complexity:
295
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
284.141g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
284.355g/mol
Monoisotopic Mass:
284.141g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
60.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
Literature
| Title | Journal |
|---|---|
| Topological equivalences between organic and coordination polymer crystal structures: an organic ladder formed with three-connected molecular and supramolecular synthons. | Organic letters 20020321 |
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