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2-METHYL-1H-PYRROLE-3-CARBOXYLICACID

2-METHYL-1H-PYRROLE-3-CARBOXYLICACID structure

CAS No:
37102-48-0
Formula:
C6H7NO2
Chemical Name:
2-METHYL-1H-PYRROLE-3-CARBOXYLICACID
Synonyms:
2-METHYL-1H-PYRROLE-3-CARBOXYLIC ACID;2-Methylpyrrole-3-carboxylic acid;1H-Pyrrole-3-carboxylic acid, 2-Methyl-;2-Methyl-1H-Pyrrole-3-Carboxylic Acid(WX614100);2-Methyl-3-pyrrolecarboxylic acid

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2-METHYL-1H-PYRROLE-3-CARBOXYLICACID Basic Attributes

Molecular Weight：

125.13

Exact Mass：

125.047678466 g/mol

NSC Number：

81358

DSSTox ID：

DTXSID20292288

HScode：

2933990090

Characteristics

PSA：

53.09000

XLogP3：

1.02130

Density：

1.295

Melting Point：

178-179℃

Boiling Point：

322.4±22.0 °C(Predicted)

Flash Point：

148.8ºC

Refractive Index：

1.586

PKA：

5.60±0.50

Safety Information

wgk germany：

hazard class code：

36/37/38

safety instructions：

Marks：

Computed Properties

Molecular Weight:125.13
XLogP3:0.6
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:1
Exact Mass:125.047678466
Monoisotopic Mass:125.047678466
Topological Polar Surface Area:53.1
Heavy Atom Count:9
Complexity:124
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 2-METHYL-1H-PYRROLE-3-CARBOXYLICACID

Basic Attributes
Characteristics
Safety Information
Computed Properties

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