Home Aldehydes 1H-Imidazole-4-carboxaldehyde, 1-ethyl-

1H-Imidazole-4-carboxaldehyde, 1-ethyl-

CAS No.:
88091-37-6
Catalog Number:
AG004GWR
Molecular Formula:
C6H8N2O
Molecular Weight:
124.1405
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Product Description
Catalog Number:
AG004GWR
Chemical Name:
1H-Imidazole-4-carboxaldehyde, 1-ethyl-
CAS Number:
88091-37-6
Molecular Formula:
C6H8N2O
Molecular Weight:
124.1405
MDL Number:
MFCD20485140
IUPAC Name:
1-ethylimidazole-4-carbaldehyde
InChI:
InChI=1S/C6H8N2O/c1-2-8-3-6(4-9)7-5-8/h3-5H,2H2,1H3
InChI Key:
NRRFNLUQOIHVKN-UHFFFAOYSA-N
SMILES:
CCn1cc(nc1)C=O
Properties
Complexity:
105  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
124.064g/mol
Formal Charge:
0
Heavy Atom Count:
9  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
124.143g/mol
Monoisotopic Mass:
124.064g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
34.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.1  
Properties