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7-Methoxycoumarin-3-acetic acid

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Name

7-Methoxycoumarin-3-acetic acid

EINECS N/A
CAS No. 765276-64-0 Density 1.367 g/cm3
PSA N/A LogP N/A
Solubility N/A Melting Point N/A
Formula C12H10O5 Boiling Point 472.858 °C at 760 mmHg
Molecular Weight 234.208 Flash Point 189.189 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 765276-64-0 (2H-1-Benzopyran-3-acetic acid, 7-methoxy-2-oxo-) Hazard Symbols N/A
Synonyms

2-(7-Methoxy-2-oxo-chromen-3-yl)acetic acid;

Article Data 3

7-Methoxycoumarin-3-acetic acid Specification

The 2H-1-Benzopyran-3-acetic acid, 7-methoxy-2-oxo- has the CAS registry number 765276-64-0. This chemical's molecular formula is C12H10O5 and molecular weight is 234.20. What's more, its systematic name is 2-(7-methoxy-2-oxo-chromen-3-yl)acetic acid.

Physical properties of 2H-1-Benzopyran-3-acetic acid, 7-methoxy-2-oxo- are: (1)ACD/LogP: 1.36; (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): 2.484; (6)ACD/KOC (pH 7.4): 1; (7)#H bond acceptors: 5; (8)#H bond donors: 1; (9)#Freely Rotating Bonds: 3; (10)Polar Surface Area: 72.83 Å2; (11)Index of Refraction: 1.584; (12)Molar Refractivity: 57.332 cm3; (13)Molar Volume: 171.289 cm3; (14)Polarizability: 22.728×10-24cm3; (15)Surface Tension: 53.314 dyne/cm; (16)Density: 1.367 g/cm3; (17)Flash Point: 189.189 °C; (18)Enthalpy of Vaporization: 77.523 kJ/mol; (19)Boiling Point: 472.858 °C at 760 mmHg; (20)Vapour Pressure: 0 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: COc1ccc2cc(c(=O)oc2c1)CC(=O)O
(2)Std. InChI: InChI=1S/C12H10O5/c1-16-9-3-2-7-4-8(5-11(13)14)12(15)17-10(7)6-9/h2-4,6H,5H2,1H3,(H,13,14)
(3)Std. InChIKey: UNHYHSXKOVCSSK-UHFFFAOYSA-N

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