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Home > Imidazoles > 1849410-29-2
1849410-29-2 | 1-ethyl-4-ethynyl-1H-imidazole
CAS No: 1849410-29-2 Catalog No: AG01DRHY MDL No:
Product Description
Catalog Number:
AG01DRHY
Chemical Name:
1-ethyl-4-ethynyl-1H-imidazole
CAS Number:
1849410-29-2
Molecular Formula:
C7H8N2
Molecular Weight:
120.1518
IUPAC Name:
1-ethyl-4-ethynylimidazole
InChI:
InChI=1S/C7H8N2/c1-3-7-5-9(4-2)6-8-7/h1,5-6H,4H2,2H3
InChI Key:
IBHTVIDZSMZSHJ-UHFFFAOYSA-N
SMILES:
CCn1cc(nc1)C#C
Properties
Complexity:
133
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
120.069g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
120.155g/mol
Monoisotopic Mass:
120.069g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
17.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6
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