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Merck

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
Assay:
99%
Form:
powder

Key Documents

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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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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
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
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
Rajsekhar Roy et al.
ACS omega, 5(30), 18628-18641 (2020-08-11)
In Alzheimer's disease (AD), insoluble Aβ42 peptide fragments self-aggregate and form oligomers and fibrils in the brain, causing neurotoxicity. Further, the presence of redox-active metal ions such as Cu2+ enhances the aggregation process through chelation with these Aβ42 aggregates as
M A Ali et al.
Free radical research, 32(5), 429-438 (2000-04-15)
The effect of lactic acid (lactate) on Fenton based hydroxyl radical (*OH) production was studied by spin trapping, ESR, and fluorescence methods using DMPO and coumarin-3-carboxylic acid (3-CCA) as the *OH traps respectively. The *OH adduct formation was inhibited by
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