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Merck
CN

C85603

Coumarin-3-carboxylic acid

99%

Synonym(s):

2-Oxo-2H-1-benzopyran-3-carboxylic acid

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About This Item

Empirical Formula (Hill Notation):
C10H6O4
CAS Number:
531-81-7
Molecular Weight:
190.15
UNSPSC Code:
12352100
NACRES:
NA.22
PubChem Substance ID:
24893073
EC Number:
208-518-0
Beilstein/REAXYS Number:
154276
MDL number:
MFCD00006852

Key Documents

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Product Name

Coumarin-3-carboxylic acid, 99%

InChI key

ACMLKANOGIVEPB-UHFFFAOYSA-N

InChI

1S/C10H6O4/c11-9(12)7-5-6-3-1-2-4-8(6)14-10(7)13/h1-5H,(H,11,12)

SMILES string

OC(=O)C1=Cc2ccccc2OC1=O

assay

99%

form

powder

mp

189-192 °C (lit.)

Quality Level

100

Gene Information

human ... PTPN1(5770)

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Related Categories

pictograms

Skull and crossbones
GHS06

signalword

Danger

hcodes

H301

Hazard Classifications

Acute Tox. 3 Oral

Storage Class

6.1C - Combustible acute toxic Cat.3 / toxic compounds or compounds which causing chronic effects

wgk

WGK 3

flash_point_f

Not applicable

flash_point_c

Not applicable

ppe

Eyeshields, Faceshields, Gloves, type P2 (EN 143) respirator cartridges

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Certificates of Analysis (COA)

Lot/Batch Number
BCCM5569
STBK2852
STBJ0920
STBG9422
STBF6288V

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Franco Chimenti et al.
Bioorganic & medicinal chemistry letters, 14(14), 3697-3703 (2004-06-19)
A series of coumarin-3-acyl derivatives have been synthesized and investigated for the ability to inhibit selectively monoamine oxidases. The coumarin-3-carboxylic acids, 2a-e, proved to be reversible and selective inhibitors of the MAO-B isoform, displaying pIC(50) values of particular interest: 2a
A J Dobson et al.
Acta crystallographica. Section C, Crystal structure communications, 52 ( Pt 12), 3081-3083 (1996-12-15)
In the structure of the title compound, C10H6O4, there is a single intramolecular hydrogen bond. In addition, there are a number of significant intermolecular C-H...O attractive interactions. These interactions account in part for the rather high density for an ordinary
A V Chernikov et al.
Biofizika, 47(5), 773-781 (2002-10-26)
The process of heat-induced generation of hydroxyl radicals in seawater was studied using coumarin-3-carboxylic acid as a fluorescent detector of .OH. The rate constants of .OH thermoproduction were determined in the temperature range of 40 to 60 degrees C. The
Shinichi Yamashita et al.
Free radical research, 46(7), 861-871 (2012-04-17)
The radiation-induced reactions of a water-soluble coumarin derivative, coumarin-3-carboxyl acid (C3CA), have been investigated in aqueous solutions by pulse radiolysis with a 35 MeV electron beam, final product analysis following (60)Co γ-irradiations and deterministic model simulations. Pulse radiolysis revealed that
Gertjan J M den Hartog et al.
Chemico-biological interactions, 145(1), 33-39 (2003-02-28)
Cu,Zn-superoxide dismutase (SOD1) has been shown to be effective in several free radical mediated diseases, although some studies have pointed toward SOD1 toxicity at a high concentrations. In the present study, the balance between prevention and induction of damage by
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