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
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Quality Level
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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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
[Generation of hydroxyl radicals and other redox active compounds in the sea water exposed to heat].
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
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
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