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C85603

Sigma-Aldrich

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
Beilstein:
154276
EC Number:
208-518-0
MDL number:
MFCD00006852
UNSPSC Code:
12352100
PubChem Substance ID:
24893073
NACRES:
NA.22

Assay

99%

form

powder

mp

189-192 °C (lit.)

SMILES string

OC(=O)C1=Cc2ccccc2OC1=O

InChI

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

InChI key

ACMLKANOGIVEPB-UHFFFAOYSA-N

Gene Information

human ... PTPN1(5770)

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Pictograms

Skull and crossbones
GHS06

Signal Word

Danger

Hazard Statements

H301

Precautionary Statements

P301 + P310

Hazard Classifications

Acute Tox. 3 Oral

Storage Class Code

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

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

Certificates of Analysis (COA)

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Y Manevich et al.
Radiation research, 148(6), 580-591 (1997-12-17)
Coumarin-3-carboxylic acid (3-CCA) was used as a detector for hydroxyl radicals (.OH) in aqueous solution. The .OH was generated by gamma irradiation or chemically by the Cu2+-mediated oxidation of ascorbic acid (ASC). The excitation and emission spectra of 3-CCA, hydroxylated
Ivelina Georgieva et al.
Inorganic chemistry, 46(25), 10926-10936 (2007-11-10)
The interaction of lanthanide(III) cations (Ln(III) = Sm(III), Eu(III), and Tb(III)) with the deprotonated form of the coumarin-3-carboxylic acid (cca-) has been investigated by density functional theory (DFT/B3LYP) and confirmed by reference MP2 and CCSD(T) computations. Solvent effects on the
A Karaliota et al.
Journal of inorganic biochemistry, 84(1-2), 33-37 (2001-05-02)
The copper(II) complex of coumarin-3-carboxylic acid (CcaH) has been prepared and characterized on the basis of elemental and thermal analysis, IR, Raman, EPR, UV-Vis reflectance and 1H-NMR spectra. A detail analysis of all spectra data is presented with particular emphasis
Dan Wang et al.
Acta biomaterialia, 65, 327-338 (2017-11-08)
The accumulation of the extracellular β-amyloid (Aβ) aggregates with metal ions in conjunction with reactive oxygen species (ROS) is closely related to the pathogenesis of Alzheimer's disease (AD). Accounting on Cu ions chelating of our previously designed bifunctional peptide GGHRYYAAFFARR
Bhumika Thati et al.
Cancer letters, 248(2), 321-331 (2006-09-26)
The chemotherapeutic potential of coumarin-3-carboxylic acid (C-3-COOH) and a series of three hydroxylated coumarin-3-carboxylic acid ligands, namely 6-hydroxy-coumarin-3-carboxylic acid (6-OH-C-3-COOH), 7-hydroxy-coumarin-3-carboxylic acid (7-OH-C-3-COOH) and 8-hydroxy-coumarin-3-carboxylic acid (8-OH-C-3-COOH), along with their corresponding silver-based complexes, namely 6-hydroxycoumarin-3-carboxylatosilver (6-OH-C-COO-Ag), 7-hydroxycoumarin-3-carboxylatosilver (7-OH-C-COO-Ag) and 8-hydroxycoumarin-3-carboxylatosilver
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