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113576-53-7 | Phenol, 5-(6-methyloctyl)-2-[[(4-octylphenyl)imino]methyl]-
CAS No: 113576-53-7 Catalog No: AG000917 MDL No:
Product Description
Catalog Number:
AG000917
Chemical Name:
Phenol, 5-(6-methyloctyl)-2-[[(4-octylphenyl)imino]methyl]-
CAS Number:
113576-53-7
Molecular Formula:
C30H45NO
Molecular Weight:
435.6844
IUPAC Name:
5-(6-methyloctyl)-2-[(4-octylphenyl)iminomethyl]phenol
InChI:
InChI=1S/C30H45NO/c1-4-6-7-8-9-12-15-26-18-21-29(22-19-26)31-24-28-20-17-27(23-30(28)32)16-13-10-11-14-25(3)5-2/h17-25,32H,4-16H2,1-3H3
InChI Key:
URHHYOXLEBQEKF-UHFFFAOYSA-N
SMILES:
CCCCCCCCc1ccc(cc1)N=Cc1ccc(cc1O)CCCCCC(CC)C
Properties
Complexity:
468
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
435.35g/mol
Formal Charge:
0
Heavy Atom Count:
32
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
435.696g/mol
Monoisotopic Mass:
435.35g/mol
Rotatable Bond Count:
16
Topological Polar Surface Area:
32.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
11.2
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