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126004-16-8 | 1H-Imidazole-5-carboxamide, 4-ethynyl-
CAS No: 126004-16-8 Catalog No: AG000QQZ MDL No:
Product Description
Catalog Number:
AG000QQZ
Chemical Name:
1H-Imidazole-5-carboxamide, 4-ethynyl-
CAS Number:
126004-16-8
Molecular Formula:
C6H5N3O
Molecular Weight:
135.1234
IUPAC Name:
5-ethynyl-1H-imidazole-4-carboxamide
InChI:
InChI=1S/C6H5N3O/c1-2-4-5(6(7)10)9-3-8-4/h1,3H,(H2,7,10)(H,8,9)
InChI Key:
VTEPZBCRFBNYNX-UHFFFAOYSA-N
SMILES:
C#Cc1nc[nH]c1C(=O)N
Properties
Complexity:
192
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
135.043g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
135.126g/mol
Monoisotopic Mass:
135.043g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
71.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.4
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