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53878-47-0

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Basic Information
CAS No.: 53878-47-0
Name: 5-HYDROXY-4-OXO-4H-CHROMENE-2-CARBOXYLIC ACID
Article Data: 8
Molecular Structure:
Molecular Structure of 53878-47-0 (5-HYDROXY-4-OXO-4H-CHROMENE-2-CARBOXYLIC ACID)
Formula: C10H6O5
Molecular Weight: 206.155
Synonyms: 5-Hydroxy-2-chromonecarboxylicacid;5-Hydroxy-4-oxo-4H-chromene-2-carboxylic acid;
Density: 1.639 g/cm3
Boiling Point: 408.5 °C at 760 mmHg
Flash Point: 169.7 °C
PSA: 87.74000
LogP: 1.19680
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Specification

The 4H-1-Benzopyran-2-carboxylicacid, 5-hydroxy-4-oxo-, with the CAS registry number 53878-47-0, is also known as 5-Hydroxy-2-chromonecarboxylicacid. This chemical's molecular formula is C10H6O5 and molecular weight is 206.15164. What's more, its systematic name is 5-Hydroxy-4-oxo-4H-chromene-2-carboxylic acid.

Physical properties about 4H-1-Benzopyran-2-carboxylicacid, 5-hydroxy-4-oxo- are: (1)ACD/LogP: 1.19; (2)# of Rule of 5 Violations: 0; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 1; (6)ACD/KOC (pH 7.4): 1; (7)#H bond acceptors: 5; (8)#H bond donors: 2; (9)#Freely Rotating Bonds: 2; (10)Polar Surface Area: 61.83 Å2; (11)Index of Refraction: 1.684; (12)Molar Refractivity: 47.75 cm3; (13)Molar Volume: 125.7 cm3; (14)Polarizability: 18.93×10-24 cm3; (15)Surface Tension: 82.7 dyne/cm; (16)Density: 1.639 g/cm3; (17)Flash Point: 169.7 °C; (18)Enthalpy of Vaporization: 69.65 kJ/mol; (19)Boiling Point: 408.5 °C at 760 mmHg; (20)Vapour Pressure: 2.09E-07 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C\1c2c(O/C(=C/1)C(=O)O)cccc2O
(2) InChI: InChI=1/C10H6O5/c11-5-2-1-3-7-9(5)6(12)4-8(15-7)10(13)14/h1-4,11H,(H,13,14)
(3) InChIKey: WXAWTEGETBBUTP-UHFFFAOYAQ