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1-Hydroxymethylbenzimidazole

CAT: 0013-GTR19251310-01Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19251310-01Size:100 mg
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Description
1-Hydroxymethylbenzimidazole
CAS Number
19541-99-2
Smiles
OCN1C=NC2=CC=CC=C12
Molecular Formula
C8H8N2O
Molecular Weight
148.1619
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

1H-Benzimidazole-1-methanol
CAS Number19541-99-2
PubChem CID146489
IUPAC Namebenzimidazol-1-ylmethanol
Molecular FormulaC8H8N2O
Molecular Weight148.16
XLogP0.8
Topological Polar Surface Area38.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Heavy Atom Count11
Formal Charge0
Complexity140
SMILES
C1=CC=C2C(=C1)N=CN2CO
InChI
InChI=1S/C8H8N2O/c11-6-10-5-9-7-3-1-2-4-8(7)10/h1-5,11H,6H2
InChIKey
IWCRZZKSGBFRSJ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 1H-Benzimidazole-1-methanol
CAS: 19541-99-2
CID: 146489
Formula: C8H8N2O
MW: 148.16
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight148.16
XLogP30.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Exact Mass148.063662883
Monoisotopic Mass148.063662883
Topological Polar Surface Area38.1 Ų
Heavy Atom Count11
Formal Charge0
Complexity140
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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