1H-Imidazole-1-aceticacid, 4,5-dicyano-, ethyl ester


Chemical Name: 1H-Imidazole-1-aceticacid, 4,5-dicyano-, ethyl ester
CAS Number: 939901-65-2
Product Number: AG00J096(AGN-PC-0WAJIY)
Synonyms:
MDL No:
Molecular Formula: C9H8N4O2
Molecular Weight: 204.1854

Identification/Properties


Computed Properties
Molecular Weight:
204.189g/mol
XLogP3:
0.5
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
5
Rotatable Bond Count:
4
Exact Mass:
204.065g/mol
Monoisotopic Mass:
204.065g/mol
Topological Polar Surface Area:
91.7A^2
Heavy Atom Count:
15
Formal Charge:
0
Complexity:
337
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

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NMR Spectrum


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