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Home > Imidazoles > 883549-92-6
883549-92-6 | 3-(5,7-Dimethyl-1H-benzoimidazol-2-yl)-propionic acid
CAS No: 883549-92-6 Catalog No: AG01EY76 MDL No:
Product Description
Catalog Number:
AG01EY76
Chemical Name:
3-(5,7-Dimethyl-1H-benzoimidazol-2-yl)-propionic acid
CAS Number:
883549-92-6
Molecular Formula:
C12H14N2O2
Molecular Weight:
218.2518
IUPAC Name:
3-(4,6-dimethyl-1H-benzimidazol-2-yl)propanoic acid
InChI:
InChI=1S/C12H14N2O2/c1-7-5-8(2)12-9(6-7)13-10(14-12)3-4-11(15)16/h5-6H,3-4H2,1-2H3,(H,13,14)(H,15,16)
InChI Key:
GWBPWCASJGEFLO-UHFFFAOYSA-N
SMILES:
OC(=O)CCc1nc2c([nH]1)c(C)cc(c2)C
Properties
Complexity:
270
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
218.106g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
218.256g/mol
Monoisotopic Mass:
218.106g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
66A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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