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112247-07-1 | C-UNDECYLCALIX[4]RESORCINARENE MONOHYDRATE
CAS No: 112247-07-1 Catalog No: AG003P38 MDL No:
Product Description
Catalog Number:
AG003P38
Chemical Name:
C-UNDECYLCALIX[4]RESORCINARENE MONOHYDRATE
CAS Number:
112247-07-1
IUPAC Name:
2,8,14,20-tetra(undecyl)pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3(28),4,6,9(27),10,12,15,17,19(26),21,23-dodecaene-4,6,10,12,16,18,22,24-octol
InChI:
InChI=1S/C72H112O8/c1-5-9-13-17-21-25-29-33-37-41-53-57-45-59(67(75)49-65(57)73)54(42-38-34-30-26-22-18-14-10-6-2)61-47-63(71(79)51-69(61)77)56(44-40-36-32-28-24-20-16-12-8-4)64-48-62(70(78)52-72(64)80)55(60-46-58(53)66(74)50-68(60)76)43-39-35-31-27-23-19-15-11-7-3/h45-56,73-80H,5-44H2,1-4H3
InChI Key:
NLPGYPIHQCVVRO-UHFFFAOYSA-N
Properties
Complexity:
1220
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
1104.836g/mol
Formal Charge:
0
Heavy Atom Count:
80
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
8
Isotope Atom Count:
0
Molecular Weight:
1105.68g/mol
Monoisotopic Mass:
1104.836g/mol
Rotatable Bond Count:
40
Topological Polar Surface Area:
162A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
27.8
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