Benzoic acid, 4-[(2-butyl-5-formyl-1H-imidazol-1-yl)methyl]-


Chemical Name: Benzoic acid, 4-[(2-butyl-5-formyl-1H-imidazol-1-yl)methyl]-
CAS Number: 152146-59-3
Product Number: AG007YOJ(AGN-PC-0MUPX2)
Synonyms:
MDL No:
Molecular Formula: C16H18N2O3
Molecular Weight: 286.3257

Identification/Properties


Computed Properties
Molecular Weight:
286.331g/mol
XLogP3:
2.7
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
7
Exact Mass:
286.132g/mol
Monoisotopic Mass:
286.132g/mol
Topological Polar Surface Area:
72.2A^2
Heavy Atom Count:
21
Formal Charge:
0
Complexity:
353
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

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NMR Spectrum


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