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3-Acetylcoumarin

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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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

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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