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Home > Imidazoles > 6761-86-0
6761-86-0 | 1H-Benzimidazole-2-methanol,5,6-dimethyl-(9CI)
CAS No: 6761-86-0 Catalog No: AG00FFEG MDL No:
Product Description
Catalog Number:
AG00FFEG
Chemical Name:
1H-Benzimidazole-2-methanol,5,6-dimethyl-(9CI)
CAS Number:
6761-86-0
Molecular Formula:
C10H12N2O
Molecular Weight:
176.2151
IUPAC Name:
(5,6-dimethyl-1H-benzimidazol-2-yl)methanol
InChI:
InChI=1S/C10H12N2O/c1-6-3-8-9(4-7(6)2)12-10(5-13)11-8/h3-4,13H,5H2,1-2H3,(H,11,12)
InChI Key:
NLTYZPBQHXXZGL-UHFFFAOYSA-N
SMILES:
OCc1[nH]c2c(n1)cc(c(c2)C)C
NSC Number:
163906
Properties
Complexity:
186
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
176.095g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
176.219g/mol
Monoisotopic Mass:
176.095g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
48.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
Literature
| Title | Journal |
|---|---|
| Microsphere-based protease assays and screening application for lethal factor and factor Xa. | Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501 |
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