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102169-73-3 | 1H-Benzimidazole-5,6-diol
CAS No: 102169-73-3 Catalog No: AG0006SJ MDL No:
Product Description
Catalog Number:
AG0006SJ
Chemical Name:
1H-Benzimidazole-5,6-diol
CAS Number:
102169-73-3
Molecular Formula:
C7H6N2O2
Molecular Weight:
150.1347
IUPAC Name:
1H-benzimidazole-5,6-diol
InChI:
InChI=1S/C7H6N2O2/c10-6-1-4-5(2-7(6)11)9-3-8-4/h1-3,10-11H,(H,8,9)
InChI Key:
YBMUVGQKRPSJLS-UHFFFAOYSA-N
SMILES:
Oc1cc2[nH]cnc2cc1O
Properties
Complexity:
153
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
150.043g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
150.137g/mol
Monoisotopic Mass:
150.043g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
69.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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