246573
6,7-Dihydroxycoumarin
98%
Synonym(s):
Cichorigenin, Esculetin
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About This Item
Empirical Formula (Hill Notation):
C9H6O4
CAS Number:
Molecular Weight:
178.14
Beilstein:
152788
EC Number:
MDL number:
UNSPSC Code:
12162002
PubChem Substance ID:
NACRES:
NA.23
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Assay
98%
form
powder
mp
271-273 °C (lit.)
SMILES string
Oc1cc2OC(=O)C=Cc2cc1O
InChI
1S/C9H6O4/c10-6-3-5-1-2-9(12)13-8(5)4-7(6)11/h1-4,10-11H
InChI key
ILEDWLMCKZNDJK-UHFFFAOYSA-N
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Storage Class Code
11 - Combustible Solids
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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In this work, we report a combined experimental and theoretical study on molecular structure, vibrational spectra and electronic properties of Esculetin (ESC). The FT-IR, FT-Raman and FT-NMR spectra have been recorded and analyzed. The molecular geometry, harmonic vibrational frequencies, chemical
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Sudhakar R Subramaniam et al.
Toxicology and applied pharmacology, 250(2), 130-136 (2010-10-12)
Esculetin (6,7-dihydroxy coumarin), is a potent antioxidant that is present in several plant species. The aim of this study was to investigate the mechanism of protection of esculetin in human hepatoma HepG2 cells against reactive oxygen species (ROS) induced by
Li-Wen Tian et al.
Journal of natural products, 72(6), 1057-1060 (2009-05-09)
Five new 7-O-methylkaempferol and -quercetin glycosides, namely, nervilifordins A-E (1-5), were isolated from the whole plant of Nervilia fordii, together with seven known flavonoids (6, 7, and 9-13) and one known coumarin (8). Their structures were elucidated on the basis
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