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Home > Aldehydes > 842972-42-3
842972-42-3 | 1-Ethyl-1H-imidazole-5-carbaldehyde
CAS No: 842972-42-3 Catalog No: AG004TI0 MDL No:MFCD07186428
Product Description
Catalog Number:
AG004TI0
Chemical Name:
1-Ethyl-1H-imidazole-5-carbaldehyde
CAS Number:
842972-42-3
Molecular Formula:
C6H8N2O
Molecular Weight:
124.1405
MDL Number:
MFCD07186428
IUPAC Name:
3-ethylimidazole-4-carbaldehyde
InChI:
InChI=1S/C6H8N2O/c1-2-8-5-7-3-6(8)4-9/h3-5H,2H2,1H3
InChI Key:
VHWIECSRYTXFHX-UHFFFAOYSA-N
SMILES:
O=Cc1cncn1CC
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
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