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39021-62-0 | 1-Methyl-1H-imidazole-5-carbaldehyde
CAS No: 39021-62-0 Catalog No: AG0076LU MDL No:MFCD00030439
Product Description
Catalog Number:
AG0076LU
Chemical Name:
1-Methyl-1H-imidazole-5-carbaldehyde
CAS Number:
39021-62-0
Molecular Formula:
C5H6N2O
Molecular Weight:
110.1139
MDL Number:
MFCD00030439
IUPAC Name:
3-methylimidazole-4-carbaldehyde
InChI:
InChI=1S/C5H6N2O/c1-7-4-6-2-5(7)3-8/h2-4H,1H3
InChI Key:
BNYKZFOZWZMEJD-UHFFFAOYSA-N
SMILES:
Cn1cncc1C=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:
0
Isotope Atom Count:
0
Molecular Weight:
110.116g/mol
Monoisotopic Mass:
110.048g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
34.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.2
Literature
| Title | Journal |
|---|---|
| Synthesis and ocular effects of imidazole nitrolic acids. | Journal of medicinal chemistry 20050630 |
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