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1H-Imidazole-5-carboxylicacid,1-methyl-4-nitro-,methylester

1H-Imidazole-5-carboxylicacid,1-methyl-4-nitro-,methylester structure

CAS No:
89946-67-8
Formula:
C6H7N3O4
Chemical Name:
1H-Imidazole-5-carboxylicacid,1-methyl-4-nitro-,methylester
Synonyms:
1H-Imidazole-5-carboxylic acid, 1-methyl-4-nitro-, methyl ester;3-Methyl-5-nitro-3h-imidazole-4-carboxylic acid methyl ester

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1H-Imidazole-5-carboxylicacid,1-methyl-4-nitro-,methylester Basic Attributes

Molecular Weight：

185.14

Exact Mass：

185.04365571 g/mol

DSSTox ID：

DTXSID20345329

Characteristics

PSA：

89.9 Å²

Density：

1.49±0.1 g/cm3

Melting Point：

128-129 °C

Boiling Point：

370.5±22.0 °C(Predicted)

PKA：

-2.38±0.61

Computed Properties

Molecular Weight:185.14
XLogP3:0.4
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:2
Exact Mass:185.04365571
Monoisotopic Mass:185.04365571
Topological Polar Surface Area:89.9
Heavy Atom Count:13
Complexity:226
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 1H-Imidazole-5-carboxylicacid,1-methyl-4-nitro-,methylester

Basic Attributes
Characteristics
Computed Properties

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