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89037-76-3 | Benzoic acid, 4-[[4-(1-oxopropyl)phenyl]azo]-, tridecyl ester
CAS No: 89037-76-3 Catalog No: AG004286 MDL No:
Product Description
Catalog Number:
AG004286
Chemical Name:
Benzoic acid, 4-[[4-(1-oxopropyl)phenyl]azo]-, tridecyl ester
CAS Number:
89037-76-3
Molecular Formula:
C29H40N2O3
Molecular Weight:
464.6395
IUPAC Name:
tridecyl 4-[(4-propanoylphenyl)diazenyl]benzoate
InChI:
InChI=1S/C29H40N2O3/c1-3-5-6-7-8-9-10-11-12-13-14-23-34-29(33)25-17-21-27(22-18-25)31-30-26-19-15-24(16-20-26)28(32)4-2/h15-22H,3-14,23H2,1-2H3
InChI Key:
ZNLDNHSHBSLOTM-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCCCOC(=O)c1ccc(cc1)N=Nc1ccc(cc1)C(=O)CC
Properties
Complexity:
576
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
464.304g/mol
Formal Charge:
0
Heavy Atom Count:
34
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
464.65g/mol
Monoisotopic Mass:
464.304g/mol
Rotatable Bond Count:
18
Topological Polar Surface Area:
68.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
10.3
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