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779-27-1

Basic Information
CAS No.: 779-27-1
Name: 7-HYDROXYCOUMARIN-3-CARBOXYLIC ACID
Article Data: 64
Molecular Structure:
Molecular Structure of 779-27-1 (7-HYDROXYCOUMARIN-3-CARBOXYLIC ACID)
Formula: C10H6O5
Molecular Weight: 206.155
Synonyms: 3-Carboxy-7-hydroxycoumarin;3-Carboxyumbelliferone;7-Hydroxycoumarin-3-carboxylic acid;NSC 115545;Umbelliferone-3-carboxylic acid;
EINECS: 1415-596-9
Density: 1.639 g/cm3
Melting Point: 261 °C(lit.)
Boiling Point: 474.8 °C at 760 mmHg
Flash Point: 198.5 °C
Solubility: DMF: soluble
Hazard Symbols: IrritantXi
Risk Codes: 36/37/38
Safety: 26-36
PSA: 87.74000
LogP: 1.19680
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    Our company( GZ HONCH CHEMICAL TECHNOLOGY CO.,LTD) was founded in March 27, 2007.Our company mainly engaged in chemical products ,our products TOP purity with goodquality and o

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  • 7-?Hydroxycoumarin-?3-?carboxylic acid

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    779-27-1

    7-?Hydroxycoumarin-?3-?carboxylic acid

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    Jiangxi Shengwei Chemical Technology Co., Ltd.supplies scientific research products as below:1.High-purity organic chemical reagents;2.Analytical reagents; 3.Biochemical reagents;4.Chemical raw materials;5.Experimental instruments;6.Experimental cons

    Jiangxi Shengwei Chemical Technology Co., Ltd.supplies scientific research products as below: 1.High-purity organic chemical reagents; 2.Analytical reagents; 3.Biochemical reagent

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  • 7-Hydroxycoumarin-3-carboxylic acid

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    779-27-1

    7-Hydroxycoumarin-3-carboxylic acid

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    Debyesci is here who supplied several kinds of chemical products to global pharmaceutical, drug discovery, agrochemical and biotechnology industries for four yearsOur key scientific leadership team has gained experience in top research and developmen

    Debyesci is here who supplied several kinds of chemical products to global pharmaceutical, drug discovery, agrochemical and biotechnology industries for four years Our key scienti

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  • 7-Hydroxycoumarin-3-carboxylic acid

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    779-27-1

    7-Hydroxycoumarin-3-carboxylic acid

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    We have our own laboratory factory, familiar with the production process, preferential price and stock Package:10mg Application:Used in pharmaceutical industry, food industry, health industry, beauty industry and other industries

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Specification

The cas register number of 7-Hydroxycoumarin-3-carboxylic acid is 779-27-1. It also can be called as 2H-1-Benzopyran-3-carboxylicacid, 7-hydroxy-2-oxo- and the IUPAC Name about this chemical is 7-hydroxy-2-oxochromene-3-carboxylic acid. It belongs to the following product categories, such as Aromatic Carboxylic Acids, Amides, Anilides, Anhydrides & Salts and so on.

Physical properties about 7-Hydroxycoumarin-3-carboxylic acid are: (1)ACD/LogP: 1.56; (2)ACD/LogD (pH 5.5): -1.92; (3)ACD/LogD (pH 7.4): -2.21; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 1; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 5; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 2; (11)Polar Surface Area: 61.83Å2; (12)Index of Refraction: 1.684; (13)Molar Refractivity: 47.75 cm3; (14)Molar Volume: 125.7 cm3; (15)Polarizability: 18.93x10-24cm3; (16)Surface Tension: 82.7 dyne/cm; (17)Enthalpy of Vaporization: 77.76 kJ/mol; (18)Vapour Pressure: 8.06E-10 mmHg at 25°C.

Preparation: this chemical can be prepared by 7-hydroxy-2-oxo-2H-chromene-3-carboxylic acid ethyl ester. This reaction will need reagent 10 percent NaOH. The reaction time is 0.5 hour(s) at Heating. The yield is about 94%.

Uses of 7-Hydroxycoumarin-3-carboxylic acid: it can be used to produce 7-hydroxy-2-oxo-2H-chromene-3-carboxylic acid methyl ester with methanol at Heating. This reaction will need catalyst sulphuric acid. The yield is about 85%.

When you are using this chemical, please be cautious about it as the following:
This chemical is irritating to eyes, respiratory system and skin. When you are using it, wear suitable protective clothing. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1=CC2=C(C=C1O)OC(=O)C(=C2)C(=O)O
(2)InChI: InChI=1S/C10H6O5/c11-6-2-1-5-3-7(9(12)13)10(14)15-8(5)4-6/h1-4,11H,(H,12,13)
(3)InChIKey: LKLWLDOUZJEHDY-UHFFFAOYSA-N