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:
Molecular Weight:
190.15
Beilstein:
154276
EC Number:
MDL number:
UNSPSC Code:
12352100
PubChem Substance ID:
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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Signal Word
Danger
Hazard Statements
Precautionary Statements
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
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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
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
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
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