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3-Acetylcoumarin

Name: 3-Acetylcoumarin
Brand: ALDRICH

96%

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About This Item

Empirical Formula (Hill Notation):

C₁₁H₈O₃

CAS Number:

3949-36-8

Molecular Weight:

188.18

NACRES:

NA.22

PubChem Substance ID:

24852845

UNSPSC Code:

12352100

EC Number:

223-541-6

MDL number:

MFCD00006853

Assay:

96%

Form:

solid

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Properties

Quality Segment

100

assay

96%

form

solid

mp

119-122 °C (lit.)

functional group

ester, ketone

SMILES string

CC(=O)C1=Cc2ccccc2OC1=O

InChI

1S/C11H8O3/c1-7(12)9-6-8-4-2-3-5-10(8)14-11(9)13/h2-6H,1H3

InChI key

CSPIFKKOBWYOEX-UHFFFAOYSA-N

Description

General description

FTIR and FT-Raman spectra of 3-acetylcoumarin has been reported. 3-Acetylcoumarin undergoes condensation with aryl aldehydes in chloroform in the presence of piperidine to yield coumarin derivatives containing 4-arylbut-3-en-2-one moiety.

Storage Class

11 - Combustible Solids

wgk

WGK 3

flash_point_f

Not applicable

flash_point_c

Not applicable

ppe

Eyeshields, Gloves, type N95 (US)

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