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Coumarin-3-carboxylic Acid

Catalog Number
ACM531817-1
CAS Number
531-81-7
Product Name
Coumarin-3-carboxylic Acid
Structure
Category
Coumarin Dyes; Other Materials
Synonyms
2-Oxo-2H-chromene-3-carboxylicacid
Description
Alfa Chemistry offers high-purity Coumarin-3-carboxylic Acid products for various research purposes. Please contact us by email if you do not find the specification you are looking for on this page.
IUPAC Name
2-oxochromene-3-carboxylicacid
Molecular Weight
190.15
Molecular Formula
C10H6O4
Canonical SMILES
C1=CC=C2C(=C1)C=C(C(=O)O2)C(=O)O
InChI
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
Boiling Point
248.82 °C
Melting Point
189.0 to 193.0 °C
Purity
>98.0%(GC)(T)
Density
1.2599 g/ml
Solubility
Slightly soluble in water Soluble in Alcohol Insoluble in Ether,Benzene
Appearance
White to Light yellow powder to crystal
Application
Such coumarin dyes are useful for laser dyes emitting blue-green light.
Storage
-20 °C in the dark
Complexity
305
Covalently-Bonded Unit Count
1
EC Number
208-518-0
Exact Mass
190.026609g/mol
Features And Benefits
Coumarins are aromatic lactone compounds, many of which are found in natural plants. Coumarin compounds having an electron donating group at the 7-position show strong light absorption and emission, whereas unsubstituted coumarin compounds hardly emit light. This is because intramolecular charge transfer occurs when both electron-donating and electron-withdrawing groups are present in the coumarin molecule. The introduction of groups at the 3- or 4-position largely controls the wavelength of light absorption and emission. Furthermore, the introduction of electron-withdrawing groups at these positions can enhance the luminescence intensity.
Formal Charge
0
Heavy Atom Count
14
MDL Number
MFCD00006852
MeSH Entry Terms
coumarin-3-carboxylate;coumarin-3-carboxylic acid;potassium coumarin-3-carboxylic acid;sodium coumarin-3-carboxylic acid
Monoisotopic Mass
190.026609g/mol
NSC Number
53239;44926;14797
Rotatable Bond Count
1
Storage Conditions
Store at room temperature and dry
UNII
V85UOV8788
XLogP3
2.2
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