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Home > Imidazoles > 886502-57-4
886502-57-4 | 3-[2-(3,4-Dimethoxy-benzyl)-benzoimidazol-1-yl]-propionic acid
CAS No: 886502-57-4 Catalog No: AG01EYF1 MDL No:
Product Description
Catalog Number:
AG01EYF1
Chemical Name:
3-[2-(3,4-Dimethoxy-benzyl)-benzoimidazol-1-yl]-propionic acid
CAS Number:
886502-57-4
Molecular Formula:
C19H20N2O4
Molecular Weight:
340.3731
IUPAC Name:
3-[2-[(3,4-dimethoxyphenyl)methyl]benzimidazol-1-yl]propanoic acid
InChI:
InChI=1S/C19H20N2O4/c1-24-16-8-7-13(11-17(16)25-2)12-18-20-14-5-3-4-6-15(14)21(18)10-9-19(22)23/h3-8,11H,9-10,12H2,1-2H3,(H,22,23)
InChI Key:
AKPODHSYTMRPHY-UHFFFAOYSA-N
SMILES:
COc1cc(ccc1OC)Cc1nc2c(n1CCC(=O)O)cccc2
Properties
Complexity:
447
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
340.142g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
340.379g/mol
Monoisotopic Mass:
340.142g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
73.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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