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1-Methyl-5-nitro-1H-iMidazole-2-carboxylicacid

1-Methyl-5-nitro-1H-iMidazole-2-carboxylicacid structure

CAS No:
3994-53-4
Formula:
C5H5N3O4
Chemical Name:
1-Methyl-5-nitro-1H-iMidazole-2-carboxylicacid
Synonyms:
1-methyl-5-nitro-imidazole-2-carboxylic acid;1H-Imidazole-2-carboxylic acid, 1-methyl-5-nitro-

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1-Methyl-5-nitro-1H-iMidazole-2-carboxylicacid Basic Attributes

Molecular Weight：

171.11

Exact Mass：

171.02800565

DSSTox ID：

DTXSID20576454

HScode：

2933290090

Characteristics

PSA：

100.94000

XLogP3：

0.54970

Density：

1.72±0.1 g/cm3

Melting Point：

84-85 °C

Boiling Point：

455.6±37.0 °C(Predicted)

PKA：

3.07±0.25

Computed Properties

Molecular Weight:171.11
XLogP3:0.9
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:1
Exact Mass:171.02800565
Monoisotopic Mass:171.02800565
Topological Polar Surface Area:101
Heavy Atom Count:12
Complexity:213
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 1-Methyl-5-nitro-1H-iMidazole-2-carboxylicacid

Basic Attributes
Characteristics
Computed Properties

1-Methyl-5-nitro-1H-iMidazole-2-carboxylicacid

SDS

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