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142248-78-0 | Ethanone, 2-hydroxy-1,2-bis[4-(octadecyloxy)phenyl]-
CAS No: 142248-78-0 Catalog No: AG001I1G MDL No:
Product Description
Catalog Number:
AG001I1G
Chemical Name:
Ethanone, 2-hydroxy-1,2-bis[4-(octadecyloxy)phenyl]-
CAS Number:
142248-78-0
Molecular Formula:
C50H84O4
Molecular Weight:
749.1996
IUPAC Name:
2-hydroxy-1,2-bis(4-octadecoxyphenyl)ethanone
InChI:
InChI=1S/C50H84O4/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-43-53-47-39-35-45(36-40-47)49(51)50(52)46-37-41-48(42-38-46)54-44-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h35-42,49,51H,3-34,43-44H2,1-2H3
InChI Key:
REHJZPRJITWAIR-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCCCCCCCCOc1ccc(cc1)C(=O)C(c1ccc(cc1)OCCCCCCCCCCCCCCCCCC)O
Properties
Complexity:
784
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
748.637g/mol
Formal Charge:
0
Heavy Atom Count:
54
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
749.218g/mol
Monoisotopic Mass:
748.637g/mol
Rotatable Bond Count:
39
Topological Polar Surface Area:
55.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
20.3
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