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57121-47-8 | 2-ethynyl-1H-imidazole
CAS No: 57121-47-8 Catalog No: AG00LXF6 MDL No:MFCD19220762
Product Description
Catalog Number:
AG00LXF6
Chemical Name:
2-ethynyl-1H-imidazole
CAS Number:
57121-47-8
Molecular Formula:
C5H4N2
Molecular Weight:
92.0987
MDL Number:
MFCD19220762
IUPAC Name:
2-ethynyl-1H-imidazole
InChI:
InChI=1S/C5H4N2/c1-2-5-6-3-4-7-5/h1,3-4H,(H,6,7)
InChI Key:
DIPJUMYFUATARL-UHFFFAOYSA-N
SMILES:
C#Cc1ncc[nH]1
Properties
Complexity:
99.9
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
92.037g/mol
Formal Charge:
0
Heavy Atom Count:
7
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
92.101g/mol
Monoisotopic Mass:
92.037g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
28.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.3
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