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1-BENZO[1,3]DIOXOL-5-YL-2,5-DIMETHYL-1H-PYRROLE-3-CARBALDEHYDE

1-BENZO[1,3]DIOXOL-5-YL-2,5-DIMETHYL-1H-PYRROLE-3-CARBALDEHYDE structure

CAS No:
409353-81-7
Formula:
C14H13NO3
Chemical Name:
1-BENZO[1,3]DIOXOL-5-YL-2,5-DIMETHYL-1H-PYRROLE-3-CARBALDEHYDE
Synonyms:
1-Benzo[1,3]dioxol-5-yl-2,5-dimethyl-1H-pyrrole-3-carbaldehyde;1-(1,3-benzodioxol-5-yl)-2,5-dimethyl-1H-pyrrole-3-carbaldehyde;1-(2H-1,3-benzodioxol-5-yl)-2,5-dimethyl-1H-pyrrole-3-carbaldehyde;1-(2H-benzo[3,4-d]1,3-dioxolen-5-yl)-2,5-dimethylpyrrole-3-carbaldehyde;Oprea1_003620;Oprea1_024510;MLS000765830;CHEMBL1508954;CTK4I4023;DTXSID80355449

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1-BENZO[1,3]DIOXOL-5-YL-2,5-DIMETHYL-1H-PYRROLE-3-CARBALDEHYDE Basic Attributes

Molecular Weight：

243.26

Exact Mass：

243.09000

DSSTox ID：

DTXSID80355449

HScode：

2934999090

Characteristics

PSA：

40.5

XLogP3：

2.63530

Density：

1.26g/cm3

Boiling Point：

399.2ºC at 760 mmHg

Flash Point：

195.2ºC

Refractive Index：

1.611

Water Solubility：

24.6 [ug/mL]

Safety Information

Hazard category：

IRRITANT

Marks：

Computed Properties

Molecular Weight:243.26
XLogP3:2.4
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:2
Exact Mass:243.08954328
Monoisotopic Mass:243.08954328
Topological Polar Surface Area:40.5
Heavy Atom Count:18
Complexity:322
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 1-BENZO[1,3]DIOXOL-5-YL-2,5-DIMETHYL-1H-PYRROLE-3-CARBALDEHYDE

Basic Attributes
Characteristics
Safety Information
Computed Properties

1-BENZO[1,3]DIOXOL-5-YL-2,5-DIMETHYL-1H-PYRROLE-3-CARBALDEHYDE

SDS

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