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54828-46-5

54828-46-5 structural image
Product Name: 1-ETHYL-2-METHYL-4-NITRO-1H-IMIDAZOLE-5-CARBOXYLIC ACID
Formula: C7H9N3O4
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CHEMICAL AND PHYSICAL PROPERTIES

Solubility >29.9 [ug/mL] (The mean of the results at pH 7.4)

COMPUTED DESCRIPTORS

Molecular Weight 199.16 g/mol
XLogP3 0.7
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 5
Rotatable Bond Count 2
Exact Mass 199.05930578 g/mol
Monoisotopic Mass 199.05930578 g/mol
Topological Polar Surface Area 101 Ų
Heavy Atom Count 14
Formal Charge 0
Complexity 252
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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