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1H-Imidazole-5-carboxylicacid,4-(cyanomethyl)-2-methyl-

1H-Imidazole-5-carboxylicacid,4-(cyanomethyl)-2-methyl- structure

CAS No:
857812-37-4
Formula:
C7H7N3O2
Chemical Name:
1H-Imidazole-5-carboxylicacid,4-(cyanomethyl)-2-methyl-
Synonyms:
1H-Imidazole-5-carboxylic acid, 4-(cyanomethyl)-2-methyl-

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1H-Imidazole-5-carboxylicacid,4-(cyanomethyl)-2-methyl- Basic Attributes

Molecular Weight：

165.15

Exact Mass：

165.053826475

DSSTox ID：

DTXSID40669079

Characteristics

PSA：

89.77000

XLogP3：

0.48238

Density：

1.423±0.06 g/cm3

Melting Point：

224 °C

Boiling Point：

541.8±35.0 °C(Predicted)

PKA：

2.13±0.36

Computed Properties

Molecular Weight:165.15
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:2
Exact Mass:165.053826475
Monoisotopic Mass:165.053826475
Topological Polar Surface Area:89.8
Heavy Atom Count:12
Complexity:232
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 1H-Imidazole-5-carboxylicacid,4-(cyanomethyl)-2-methyl-

Basic Attributes
Characteristics
Computed Properties

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