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Home > Imidazoles > 886502-62-1
886502-62-1 | 3-[2-(4-Methoxy-benzyl)-benzoimidazol-1-yl]-propionic acid
CAS No: 886502-62-1 Catalog No: AG01EYF2 MDL No:
Product Description
Catalog Number:
AG01EYF2
Chemical Name:
3-[2-(4-Methoxy-benzyl)-benzoimidazol-1-yl]-propionic acid
CAS Number:
886502-62-1
Molecular Formula:
C18H18N2O3
Molecular Weight:
310.3471
IUPAC Name:
3-[2-[(4-methoxyphenyl)methyl]benzimidazol-1-yl]propanoic acid
InChI:
InChI=1S/C18H18N2O3/c1-23-14-8-6-13(7-9-14)12-17-19-15-4-2-3-5-16(15)20(17)11-10-18(21)22/h2-9H,10-12H2,1H3,(H,21,22)
InChI Key:
WLUUBLSMUKYDFT-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)Cc1nc2c(n1CCC(=O)O)cccc2
Properties
Complexity:
396
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
310.132g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
310.353g/mol
Monoisotopic Mass:
310.132g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
64.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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