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94938-02-0 | 1-Methyl-2-phenyl-1H-imidazole-4-carbaldehyde
CAS No: 94938-02-0 Catalog No: AG006QVH MDL No:MFCD08703272
Product Description
Catalog Number:
AG006QVH
Chemical Name:
1-Methyl-2-phenyl-1H-imidazole-4-carbaldehyde
CAS Number:
94938-02-0
Molecular Formula:
C11H10N2O
Molecular Weight:
186.2099
MDL Number:
MFCD08703272
IUPAC Name:
1-methyl-2-phenylimidazole-4-carbaldehyde
InChI:
InChI=1S/C11H10N2O/c1-13-7-10(8-14)12-11(13)9-5-3-2-4-6-9/h2-8H,1H3
InChI Key:
HZAMFPGNUUPABS-UHFFFAOYSA-N
SMILES:
O=Cc1cn(c(n1)c1ccccc1)C
Properties
Complexity:
202
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
186.079g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
186.214g/mol
Monoisotopic Mass:
186.079g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
34.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
Literature
| Title | Journal |
|---|---|
| Synthesis and reactivity of a (mu-1,1-hydroperoxo)(mu-hydroxo)dicopper(II) complex: ligand hydroxylation by a bridging hydroperoxo ligand. | Journal of the American Chemical Society 20050413 |
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