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Home > Imidazoles > 67832-77-3
67832-77-3 | Ethanone, 1-(2,4-dihydroxyphenyl)-2-(1H-imidazol-4-yl)-
CAS No: 67832-77-3 Catalog No: AG006IUL MDL No:
Product Description
Catalog Number:
AG006IUL
Chemical Name:
Ethanone, 1-(2,4-dihydroxyphenyl)-2-(1H-imidazol-4-yl)-
CAS Number:
67832-77-3
Molecular Formula:
C11H10N2O3
Molecular Weight:
218.2087
IUPAC Name:
1-(2,4-dihydroxyphenyl)-2-(1H-imidazol-5-yl)ethanone
InChI:
InChI=1S/C11H10N2O3/c14-8-1-2-9(11(16)4-8)10(15)3-7-5-12-6-13-7/h1-2,4-6,14,16H,3H2,(H,12,13)
InChI Key:
RXDFTLVCAKOVBM-UHFFFAOYSA-N
SMILES:
Oc1ccc(c(c1)O)C(=O)Cc1c[nH]cn1
Properties
Complexity:
260
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
218.069g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
218.212g/mol
Monoisotopic Mass:
218.069g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
86.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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