2H-1-Benzopyran-3-carboxylicacid, 7-hydroxy-2-oxo- (779-27-1)

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: 61.83Ų; (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