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827022-54-8 | Benzoic acid, 4-[[[7-[(4-hexylphenyl)azo]-6-quinolinyl]oxy]methyl]-
CAS No: 827022-54-8 Catalog No: AG008JRX MDL No:
Product Description
Catalog Number:
AG008JRX
Chemical Name:
Benzoic acid, 4-[[[7-[(4-hexylphenyl)azo]-6-quinolinyl]oxy]methyl]-
CAS Number:
827022-54-8
Molecular Formula:
C29H29N3O3
Molecular Weight:
467.5589
IUPAC Name:
4-[[7-[(4-hexylphenyl)diazenyl]quinolin-6-yl]oxymethyl]benzoic acid
InChI:
InChI=1S/C29H29N3O3/c1-2-3-4-5-7-21-11-15-25(16-12-21)31-32-27-19-26-24(8-6-17-30-26)18-28(27)35-20-22-9-13-23(14-10-22)29(33)34/h6,8-19H,2-5,7,20H2,1H3,(H,33,34)
InChI Key:
JELJWHHEQCBQBY-UHFFFAOYSA-N
SMILES:
CCCCCCc1ccc(cc1)N=Nc1cc2ncccc2cc1OCc1ccc(cc1)C(=O)O
Properties
Complexity:
656
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
467.221g/mol
Formal Charge:
0
Heavy Atom Count:
35
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
467.569g/mol
Monoisotopic Mass:
467.221g/mol
Rotatable Bond Count:
11
Topological Polar Surface Area:
84.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
7.9
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