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4-BENZOYL-1-METHYL-1H-PYRROLE-2-CARBALDEHYDE

4-BENZOYL-1-METHYL-1H-PYRROLE-2-CARBALDEHYDE structure

CAS No:
128843-58-3
Formula:
C13H11NO2
Chemical Name:
4-BENZOYL-1-METHYL-1H-PYRROLE-2-CARBALDEHYDE
Synonyms:
4-benzoyl-1-methyl-1H-pyrrole-2-carbaldehyde;1H-Pyrrole-2-carboxaldehyde,4-benzoyl-1-methyl-;4-benzoyl-1-methylpyrrole-2-carbaldehyde;ACMC-20e7dm;MLS001166484;SCHEMBL5664807;CHEMBL1557439;CTK4B6074;DTXSID60377543;HMS2877F19

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4-BENZOYL-1-METHYL-1H-PYRROLE-2-CARBALDEHYDE Basic Attributes

Molecular Weight：

213.23

Exact Mass：

213.07900

DSSTox ID：

DTXSID60377543

HScode：

2933990090

Characteristics

PSA：

39.1

XLogP3：

2.06860

Density：

1.12g/cm3

Melting Point：

112-114°C

Boiling Point：

388.7ºC at 760 mmHg

Flash Point：

188.9ºC

Refractive Index：

1.577

Water Solubility：

30.7 [ug/mL]

Vapor Pressure：

3.01E-06mmHg at 25°C

Safety Information

Hazard category：

IRRITANT

Computed Properties

Molecular Weight:213.23
XLogP3:1.8
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:3
Exact Mass:213.078978594
Monoisotopic Mass:213.078978594
Topological Polar Surface Area:39.1
Heavy Atom Count:16
Complexity:271
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 4-BENZOYL-1-METHYL-1H-PYRROLE-2-CARBALDEHYDE

Basic Attributes
Characteristics
Safety Information
Computed Properties

4-BENZOYL-1-METHYL-1H-PYRROLE-2-CARBALDEHYDE

SDS

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