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1-Methyl-1H-1,2,3-triazole-5-carboxylicacid

1-Methyl-1H-1,2,3-triazole-5-carboxylicacid structure

CAS No:
716361-91-0
Formula:
C4H5N3O2
Chemical Name:
1-Methyl-1H-1,2,3-triazole-5-carboxylicacid
Synonyms:
1-Methyl-1H-1,2,3-triazole-5-carboxylic acid;3-Methyl-3H-1,2,3-triazole-4-carboxylic acid;1H-1,2,3-Triazole-5-carboxylic acid, 1-Methyl-

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1-Methyl-1H-1,2,3-triazole-5-carboxylicacid Basic Attributes

Molecular Weight：

127.1

Exact Mass：

127.038176411

EC Number：

200-258-5

DSSTox ID：

DTXSID00608909

Characteristics

Density：

1.54±0.1 g/cm3

Melting Point：

188 °C (decomp)

Boiling Point：

350.7±34.0 °C(Predicted)

PKA：

3.36±0.50

Safety Information

GHS Classification：

|Warning|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501|The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Computed Properties

Molecular Weight:127.10
XLogP3:-0.5
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:1
Exact Mass:127.038176411
Monoisotopic Mass:127.038176411
Topological Polar Surface Area:68
Heavy Atom Count:9
Complexity:127
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 1-Methyl-1H-1,2,3-triazole-5-carboxylicacid

Basic Attributes
Characteristics
Safety Information
Computed Properties

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