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83015-70-7 | Cyclohexanol, 1,1'-[1,3-phenylenebis(oxy-1-propyne-3,1-diyl)]bis-
CAS No: 83015-70-7 Catalog No: AG0053LK MDL No:
Product Description
Catalog Number:
AG0053LK
Chemical Name:
Cyclohexanol, 1,1'-[1,3-phenylenebis(oxy-1-propyne-3,1-diyl)]bis-
CAS Number:
83015-70-7
Molecular Formula:
C24H30O4
Molecular Weight:
382.4926
IUPAC Name:
1-[3-[3-[3-(1-hydroxycyclohexyl)prop-2-ynoxy]phenoxy]prop-1-ynyl]cyclohexan-1-ol
InChI:
InChI=1S/C24H30O4/c25-23(12-3-1-4-13-23)16-8-18-27-21-10-7-11-22(20-21)28-19-9-17-24(26)14-5-2-6-15-24/h7,10-11,20,25-26H,1-6,12-15,18-19H2
InChI Key:
CZLLVPTZXJJEJE-UHFFFAOYSA-N
SMILES:
OC1(CCCCC1)C#CCOc1cccc(c1)OCC#CC1(O)CCCCC1
Properties
Complexity:
562
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
382.214g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
382.5g/mol
Monoisotopic Mass:
382.214g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
58.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
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