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A4571

Sigma-Aldrich

3-(α-Acetonylbenzyl)-4-hydroxycoumarin sodium salt

≥98%

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Synonym(s):
4-Hydroxy-3-(3-oxo-1-phenylbutyl)coumarin
Linear Formula:
C19H15O4Na
CAS Number:
129-06-6
Molecular Weight:
330.31
MDL number:
MFCD00083223
UNSPSC Code:
12352100
PubChem Substance ID:
57653851
NACRES:
NA.22

Quality Level

200

Assay

≥98%

form

powder

impurities

water, may contain traces
~8% Isopropanol

SMILES string

[Na].CC(=O)CC(c1ccccc1)C2=C(O)c3ccccc3OC2=O

InChI

1S/C19H16O4.Na/c1-12(20)11-15(13-7-3-2-4-8-13)17-18(21)14-9-5-6-10-16(14)23-19(17)22;/h2-10,15,21H,11H2,1H3;/q;+1/p-1

InChI key

KYITYFHKDODNCQ-UHFFFAOYSA-M

Gene Information

human ... VKORC1(79001)

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Related Categories

Pictograms

Skull and crossbonesHealth hazard
GHS06,GHS08

Signal Word

Danger

Hazard Statements

H300,H360,H412

Hazard Classifications

Acute Tox. 2 Oral - Aquatic Chronic 3 - Repr. 1B

WGK

WGK 3

Flash Point(F)

Not applicable

Flash Point(C)

Not applicable

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

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