1H-Imidazole-2-carboxylic acid, 1-methyl-4-nitro-, methyl ester


Chemical Name: 1H-Imidazole-2-carboxylic acid, 1-methyl-4-nitro-, methyl ester
CAS Number: 169770-25-6
Product Number: AG00AB7N(AGN-PC-00619R)
Synonyms:
MDL No: MFCD08275078
Molecular Formula: C6H7N3O4
Molecular Weight: 185.1375

Identification/Properties


Computed Properties
Molecular Weight:
185.139g/mol
XLogP3:
0.4
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
5
Rotatable Bond Count:
2
Exact Mass:
185.044g/mol
Monoisotopic Mass:
185.044g/mol
Topological Polar Surface Area:
89.9A^2
Heavy Atom Count:
13
Formal Charge:
0
Complexity:
226
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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