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99817-43-3 | Phenol, 5-[(6-methyloctyl)oxy]-2-[[(4-octylphenyl)imino]methyl]-
CAS No: 99817-43-3 Catalog No: AG003W7O MDL No:
Product Description
Catalog Number:
AG003W7O
Chemical Name:
Phenol, 5-[(6-methyloctyl)oxy]-2-[[(4-octylphenyl)imino]methyl]-
CAS Number:
99817-43-3
Molecular Formula:
C30H45NO2
Molecular Weight:
451.6838
IUPAC Name:
5-(6-methyloctoxy)-2-[(4-octylphenyl)iminomethyl]phenol
InChI:
InChI=1S/C30H45NO2/c1-4-6-7-8-9-12-15-26-16-19-28(20-17-26)31-24-27-18-21-29(23-30(27)32)33-22-13-10-11-14-25(3)5-2/h16-21,23-25,32H,4-15,22H2,1-3H3
InChI Key:
MZGHKLCNTFASNJ-UHFFFAOYSA-N
SMILES:
CCCCCCCCc1ccc(cc1)N=Cc1ccc(cc1O)OCCCCCC(CC)C
Properties
Complexity:
486
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
451.345g/mol
Formal Charge:
0
Heavy Atom Count:
33
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
451.695g/mol
Monoisotopic Mass:
451.345g/mol
Rotatable Bond Count:
17
Topological Polar Surface Area:
41.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
10.6
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