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Home > Imidazoles > 855261-70-0
855261-70-0 | [4,4'-Bi-1H-imidazole]-5,5'-diol
CAS No: 855261-70-0 Catalog No: AG004USQ MDL No:
Product Description
Catalog Number:
AG004USQ
Chemical Name:
[4,4'-Bi-1H-imidazole]-5,5'-diol
CAS Number:
855261-70-0
Molecular Formula:
C6H6N4O2
Molecular Weight:
166.1374
IUPAC Name:
5-(4-hydroxy-1H-imidazol-5-yl)-1H-imidazol-4-ol
InChI:
InChI=1S/C6H6N4O2/c11-5-3(7-1-9-5)4-6(12)10-2-8-4/h1-2,11-12H,(H,7,9)(H,8,10)
InChI Key:
BDMVDRITVVCXFM-UHFFFAOYSA-N
SMILES:
Oc1[nH]cnc1c1nc[nH]c1O
Properties
Complexity:
150
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
166.049g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
166.14g/mol
Monoisotopic Mass:
166.049g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
97.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.1
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