CAS 17334-08-6 | 1H-Imidazole-2-methanol, 1-methyl- | CAS Number 17334-08-6

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17334-08-6 | 1H-Imidazole-2-methanol, 1-methyl-

CAS No: 17334-08-6 Catalog No: AG001YTG MDL No:MFCD00964673

Product Description

Catalog Number:

AG001YTG

Chemical Name:

1H-Imidazole-2-methanol, 1-methyl-

CAS Number:

17334-08-6

Molecular Formula:

C5H8N2O

Molecular Weight:

112.1298

MDL Number:

MFCD00964673

IUPAC Name:

(1-methylimidazol-2-yl)methanol

InChI:

InChI=1S/C5H8N2O/c1-7-3-2-6-5(7)4-8/h2-3,8H,4H2,1H3

InChI Key:

CDQDMLWGTVLQEE-UHFFFAOYSA-N

SMILES:

OCc1nccn1C

Properties

Complexity:

76.8

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

112.064g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

112.132g/mol

Monoisotopic Mass:

112.064g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

38A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

-0.8

Literature

Title	Journal
2-Hy-droxy-methyl-1,3-dimethyl-imidazolium iodide.	Acta crystallographica. Section E, Structure reports online 20110801
Synthesis, structures, and magnetic properties of heteronuclear Cu(II)-Ln(III) (Ln = La, Gd, or Tb) complexes.	Inorganic chemistry 20051114