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3,4-Dimethyl-1H-pyrazole-5-carboxylicacid

3,4-Dimethyl-1H-pyrazole-5-carboxylicacid structure

CAS No:
89831-40-3
Formula:
C6H8N2O2
Chemical Name:
3,4-Dimethyl-1H-pyrazole-5-carboxylicacid
Synonyms:
3,4-Dimethyl-1H-pyrazole-5-carboxylic acid;4,5-Dimethylpyrazole-3-carboxylic acid;4,5-dimethyl-1H-pyrazole-3-carboxylic acid;3,4-Dimethylpyrazole-5-carboxylic Acid;1H-Pyrazole-3-carboxylic acid, 4,5-dimethyl-

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3,4-Dimethyl-1H-pyrazole-5-carboxylicacid Basic Attributes

Molecular Weight：

140.14

Exact Mass：

140.058577502 g/mol

DSSTox ID：

DTXSID40349122

HScode：

2933199090

Characteristics

PSA：

65.98000

XLogP3：

0.72470

Density：

1.321

Melting Point：

276-277℃

Boiling Point：

385.4±37.0 °C(Predicted)

PKA：

16.31±0.50

Safety Information

Hazard category：

IRRITANT

GHS Classification：

|Warning|H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]|P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 2 companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Computed Properties

Molecular Weight:140.14
XLogP3:0.8
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:1
Exact Mass:140.058577502
Monoisotopic Mass:140.058577502
Topological Polar Surface Area:66
Heavy Atom Count:10
Complexity:149
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 3,4-Dimethyl-1H-pyrazole-5-carboxylicacid

Basic Attributes
Characteristics
Safety Information
Computed Properties

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