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Dimethyl1H-1,2,4-Triazole-3,5-dicarboxylate

Dimethyl1H-1,2,4-Triazole-3,5-dicarboxylate structure

CAS No:
26663-15-0
Formula:
C6H7N3O4
Chemical Name:
Dimethyl1H-1,2,4-Triazole-3,5-dicarboxylate
Synonyms:
1H-1,2,4-Triazole-3,5-dicarboxylic acid, 3,5-dimethyl ester

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Dimethyl1H-1,2,4-Triazole-3,5-dicarboxylate Basic Attributes

Molecular Weight：

185.14

Exact Mass：

185.04365571

Characteristics

Density：

1.424±0.06 g/cm3

Melting Point：

139-142 °C (decomp)

Boiling Point：

352.5±25.0 °C(Predicted)

PKA：

5.74±0.40

Computed Properties

Molecular Weight:185.14
XLogP3:0.4
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:4
Exact Mass:185.04365571
Monoisotopic Mass:185.04365571
Topological Polar Surface Area:94.2
Heavy Atom Count:13
Complexity:220
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of Dimethyl1H-1,2,4-Triazole-3,5-dicarboxylate

Basic Attributes
Characteristics
Computed Properties

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