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Home > Imidazoles > 1339042-77-1
1339042-77-1 | 1-ethyl-2-ethynyl-1H-imidazole
CAS No: 1339042-77-1 Catalog No: AG01CAF6 MDL No:MFCD19622159
Product Description
Catalog Number:
AG01CAF6
Chemical Name:
1-ethyl-2-ethynyl-1H-imidazole
CAS Number:
1339042-77-1
Molecular Formula:
C7H8N2
Molecular Weight:
120.1518
MDL Number:
MFCD19622159
IUPAC Name:
1-ethyl-2-ethynylimidazole
InChI:
InChI=1S/C7H8N2/c1-3-7-8-5-6-9(7)4-2/h1,5-6H,4H2,2H3
InChI Key:
VBUZIUFGZOXVSW-UHFFFAOYSA-N
SMILES:
C#Cc1nccn1CC
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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