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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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
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
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
Amarjit Singh et al.
International journal of radiation biology, 84(12), 1001-1010 (2008-12-09)
To synthesize N-(3-(3-aminopropylamino)propyl)-2-oxo-2H-chromene-3-carboxamide (7), a novel DNA-binding, coumarin-based, fluorescent hydroxylradical ((*)OH) indicator and to assess its quantum efficiency compared with that of coumarin-3-carboxylic acid (1) and N1,N12-bis[2-oxo-2H-chromene-3-carbonyl]- 1,12-diamine-4,9-diazadodecane (9). Using computer-generated molecular modeling, 7 and 9 and their respective 7-hydroxylated
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