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89810-61-7 | Octadecanoic acid, 4-[1-(4-hydroxyphenyl)cyclohexyl]phenyl ester
CAS No: 89810-61-7 Catalog No: AG003ZAW MDL No:
Product Description
Catalog Number:
AG003ZAW
Chemical Name:
Octadecanoic acid, 4-[1-(4-hydroxyphenyl)cyclohexyl]phenyl ester
CAS Number:
89810-61-7
Molecular Formula:
C36H54O3
Molecular Weight:
534.8122
IUPAC Name:
[4-[1-(4-hydroxyphenyl)cyclohexyl]phenyl] octadecanoate
InChI:
InChI=1S/C36H54O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-17-20-35(38)39-34-27-23-32(24-28-34)36(29-18-16-19-30-36)31-21-25-33(37)26-22-31/h21-28,37H,2-20,29-30H2,1H3
InChI Key:
OYZIMOZFCLVDRC-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCCCCCCCC(=O)Oc1ccc(cc1)C1(CCCCC1)c1ccc(cc1)O
Properties
Complexity:
609
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
534.407g/mol
Formal Charge:
0
Heavy Atom Count:
39
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
534.825g/mol
Monoisotopic Mass:
534.407g/mol
Rotatable Bond Count:
20
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
13.9
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