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Home > Imidazoles > 152146-59-3
152146-59-3 | Benzoic acid,4-[(2-butyl-5-formyl-1H-imidazol-1-yl)methyl]-
CAS No: 152146-59-3 Catalog No: AG007YOJ MDL No:MFCD09955146
Product Description
Catalog Number:
AG007YOJ
Chemical Name:
Benzoic acid,4-[(2-butyl-5-formyl-1H-imidazol-1-yl)methyl]-
CAS Number:
152146-59-3
Molecular Formula:
C16H18N2O3
Molecular Weight:
286.3257
MDL Number:
MFCD09955146
IUPAC Name:
4-[(2-butyl-5-formylimidazol-1-yl)methyl]benzoic acid
InChI:
InChI=1S/C16H18N2O3/c1-2-3-4-15-17-9-14(11-19)18(15)10-12-5-7-13(8-6-12)16(20)21/h5-9,11H,2-4,10H2,1H3,(H,20,21)
InChI Key:
QLMGJDCOKQGJKF-UHFFFAOYSA-N
SMILES:
CCCCc1ncc(n1Cc1ccc(cc1)C(=O)O)C=O
Properties
Complexity:
353
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
286.132g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
286.331g/mol
Monoisotopic Mass:
286.132g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
72.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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