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68246-04-8 | 1H-BENZO[D]IMIDAZOLE-4,6-DIOL
CAS No: 68246-04-8 Catalog No: AG006CZ0 MDL No:
Product Description
Catalog Number:
AG006CZ0
Chemical Name:
1H-BENZO[D]IMIDAZOLE-4,6-DIOL
CAS Number:
68246-04-8
Molecular Formula:
C7H6N2O2
Molecular Weight:
150.1347
IUPAC Name:
1H-benzimidazole-4,6-diol
InChI:
InChI=1S/C7H6N2O2/c10-4-1-5-7(6(11)2-4)9-3-8-5/h1-3,10-11H,(H,8,9)
InChI Key:
GHDGGQKBKJQMEY-UHFFFAOYSA-N
SMILES:
Oc1cc(O)c2c(c1)[nH]cn2
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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