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1H-PYRAZOLE-4-ACETICACID

1H-PYRAZOLE-4-ACETICACID structure

CAS No:
934172-55-1
Formula:
C5H6N2O2
Chemical Name:
1H-PYRAZOLE-4-ACETICACID
Synonyms:
1H-PYRAZOLE-4-ACETIC ACID;2-(1H-Pyrazol-4-yl)acetic acid;(1H-Pyrazol-4-yl)-acetic acid

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1H-PYRAZOLE-4-ACETICACID Basic Attributes

Molecular Weight：

126.11

Exact Mass：

126.042927438

HScode：

2933199090

Characteristics

PSA：

65.98000

XLogP3：

0.03680

Density：

1.426±0.06 g/cm3

Melting Point：

208-210 °C

Boiling Point：

387.3±17.0 °C(Predicted)

PKA：

4.17±0.10

Computed Properties

Molecular Weight:126.11
XLogP3:-0.3
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:2
Exact Mass:126.042927438
Monoisotopic Mass:126.042927438
Topological Polar Surface Area:66
Heavy Atom Count:9
Complexity:116
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 1H-PYRAZOLE-4-ACETICACID

Basic Attributes
Characteristics
Computed Properties

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