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68282-53-1 | 5-Methyl-1H-imidazole-4-carbaldehyde
CAS No: 68282-53-1 Catalog No: AG003MUT MDL No:MFCD00173728
Product Description
Catalog Number:
AG003MUT
Chemical Name:
5-Methyl-1H-imidazole-4-carbaldehyde
CAS Number:
68282-53-1
Molecular Formula:
C5H6N2O
Molecular Weight:
110.1139
MDL Number:
MFCD00173728
IUPAC Name:
5-methyl-1H-imidazole-4-carbaldehyde
InChI:
InChI=1S/C5H6N2O/c1-4-5(2-8)7-3-6-4/h2-3H,1H3,(H,6,7)
InChI Key:
KMWCSNCNHSEXIF-UHFFFAOYSA-N
SMILES:
Cc1c(C=O)nc[nH]1
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 |
|---|---|
| Structures and spin states of bis(tridentate)-type mononuclear and triple helicate dinuclear iron(II) complexes of imidazole-4-carbaldehyde azine. | Inorganic chemistry 20090921 |
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