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35034-22-1 | 2-Methyl-1H-imidazole-5-carbaldehyde
CAS No: 35034-22-1 Catalog No: AG007GFM MDL No:MFCD00173725
Product Description
Catalog Number:
AG007GFM
Chemical Name:
2-Methyl-1H-imidazole-5-carbaldehyde
CAS Number:
35034-22-1
Molecular Formula:
C5H6N2O
Molecular Weight:
110.1139
MDL Number:
MFCD00173725
IUPAC Name:
2-methyl-1H-imidazole-5-carbaldehyde
InChI:
InChI=1S/C5H6N2O/c1-4-6-2-5(3-8)7-4/h2-3H,1H3,(H,6,7)
InChI Key:
ZWULFIBGPXWGFG-UHFFFAOYSA-N
SMILES:
Cc1ncc([nH]1)C=O
Properties
Complexity:
94.4
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
110.048g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
110.116g/mol
Monoisotopic Mass:
110.048g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
45.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.3
Literature
| Title | Journal |
|---|---|
| One-dimensional spin-crossover Iron(II) complexes bridged by intermolecular imidazole-pyridine NH...N hydrogen bonds, [Fe(HL(Me))(3)]X(2) (HL(Me) = (2-methylimidazol-4-yl-methylideneamino-2-ethylpyridine; X = PF(6), ClO(4), BF(4)). | Inorganic chemistry 20100215 |
| One-step and two-step spin-crossover iron(II) complexes of ((2-methylimidazol-4-yl)methylidene)histamine. | Inorganic chemistry 20090803 |
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