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138433-01-9 | Benzenemethanol, 3,4,5-tris(hexadecyloxy)-
CAS No: 138433-01-9 Catalog No: AG001951 MDL No:
Product Description
Catalog Number:
AG001951
Chemical Name:
Benzenemethanol, 3,4,5-tris(hexadecyloxy)-
CAS Number:
138433-01-9
Molecular Formula:
C55H104O4
Molecular Weight:
829.4119
IUPAC Name:
(3,4,5-trihexadecoxyphenyl)methanol
InChI:
InChI=1S/C55H104O4/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-57-53-49-52(51-56)50-54(58-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2)55(53)59-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3/h49-50,56H,4-48,51H2,1-3H3
InChI Key:
XCPQOSBFROGWAS-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCCCCCCOc1c(OCCCCCCCCCCCCCCCC)cc(cc1OCCCCCCCCCCCCCCCC)CO
Properties
Complexity:
730
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
828.793g/mol
Formal Charge:
0
Heavy Atom Count:
59
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
829.433g/mol
Monoisotopic Mass:
828.793g/mol
Rotatable Bond Count:
49
Topological Polar Surface Area:
47.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
24.2
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