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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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Judith A K Howard et al.
Acta crystallographica. Section B, Structural science, 65(Pt 2), 230-237 (2009-03-21)
As part of an ongoing series of experimental charge-density investigations into the intra- and intermolecular interactions present in compounds which undergo solid-state [2 + 2] cycloaddition reactions, the charge-density analyses of trans-cinnamic acid and coumarin-3-carboxylic acid are reported. Thus, high-resolution
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
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
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
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
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