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89037-72-9 | Benzoic acid, 4-[[4-(1-oxopropyl)phenyl]azo]-, pentyl ester
CAS No: 89037-72-9 Catalog No: AG00424D MDL No:
Product Description
Catalog Number:
AG00424D
Chemical Name:
Benzoic acid, 4-[[4-(1-oxopropyl)phenyl]azo]-, pentyl ester
CAS Number:
89037-72-9
Molecular Formula:
C21H24N2O3
Molecular Weight:
352.4269
IUPAC Name:
pentyl 4-[(4-propanoylphenyl)diazenyl]benzoate
InChI:
InChI=1S/C21H24N2O3/c1-3-5-6-15-26-21(25)17-9-13-19(14-10-17)23-22-18-11-7-16(8-12-18)20(24)4-2/h7-14H,3-6,15H2,1-2H3
InChI Key:
HKAZCNINSAVIGT-UHFFFAOYSA-N
SMILES:
CCCCCOC(=O)c1ccc(cc1)N=Nc1ccc(cc1)C(=O)CC
Properties
Complexity:
462
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
352.179g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
352.434g/mol
Monoisotopic Mass:
352.179g/mol
Rotatable Bond Count:
10
Topological Polar Surface Area:
68.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.1
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