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19018-24-7

19018-24-7 | 1H-Benzimidazole-2-methanol, α-methyl-

CAS No: 19018-24-7 Catalog No: AG002EDC MDL No:MFCD00016718

Product Description

Catalog Number:
AG002EDC
Chemical Name:
1H-Benzimidazole-2-methanol, α-methyl-
CAS Number:
19018-24-7
Molecular Formula:
C9H10N2O
Molecular Weight:
162.1885
MDL Number:
MFCD00016718
IUPAC Name:
1-(1H-benzimidazol-2-yl)ethanol
InChI:
InChI=1S/C9H10N2O/c1-6(12)9-10-7-4-2-3-5-8(7)11-9/h2-6,12H,1H3,(H,10,11)
InChI Key:
XZHWEHOSQYNGOL-UHFFFAOYSA-N
SMILES:
CC(c1nc2c([nH]1)cccc2)O

Properties

Complexity:
163  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
162.079g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
162.192g/mol
Monoisotopic Mass:
162.079g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
48.9A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3  

Literature

Title Journal
(S)-1-(1-Ferrocenylmethyl-1H-benz-imidazol-2-yl)ethanol monohydrate. Acta crystallographica. Section E, Structure reports online 20090701
(±)-1-(1H-Benzimidazol-2-yl)ethanol. Acta crystallographica. Section E, Structure reports online 20080701

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