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88100-26-9 | 1H-Imidazole-4-carboxamide, 5-ethoxy-1-ethyl-
CAS No: 88100-26-9 Catalog No: AG004EGR MDL No:
Product Description
Catalog Number:
AG004EGR
Chemical Name:
1H-Imidazole-4-carboxamide, 5-ethoxy-1-ethyl-
CAS Number:
88100-26-9
Molecular Formula:
C8H13N3O2
Molecular Weight:
183.2077
IUPAC Name:
5-ethoxy-1-ethylimidazole-4-carboxamide
InChI:
InChI=1S/C8H13N3O2/c1-3-11-5-10-6(7(9)12)8(11)13-4-2/h5H,3-4H2,1-2H3,(H2,9,12)
InChI Key:
CYGPWPYJZZYGLA-UHFFFAOYSA-N
SMILES:
CCOc1n(CC)cnc1C(=O)N
Properties
Complexity:
186
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
183.101g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
183.211g/mol
Monoisotopic Mass:
183.101g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
70.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.2
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