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7-Hydroxy-4-methylcoumarin-3-acetic acid

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Name

7-Hydroxy-4-methylcoumarin-3-acetic acid

EINECS N/A
CAS No. 5852-10-8 Density 1.43 g/cm3
PSA 87.74000 LogP 1.43410
Solubility DMF: soluble Melting Point 263-267 °C
Formula C12H10O5 Boiling Point 512.9 °C at 760 mmHg
Molecular Weight 234.208 Flash Point 206 °C
Transport Information N/A Appearance N/A
Safety 26-36 Risk Codes 36/37/38
Molecular Structure Molecular Structure of 5852-10-8 (7-HYDROXY-4-METHYL-3-COUMARINYLACETIC ACID) Hazard Symbols IrritantXi
Synonyms

7-Hydroxy-4-methyl-2-oxo-2H-1-benzopyran-3-aceticacid;

Article Data 3

7-Hydroxy-4-methylcoumarin-3-acetic acid Specification

This chemical is called 7-Hydroxy-4-methylcoumarin-3-acetic acid, and its systematic name is (7-hydroxy-4-methyl-2-oxo-2H-chromen-3-yl)acetic acid. With the molecular formula of C12H10O5, its molecular weight is 234.20. The CAS registry number of this chemical is 5852-10-8.

Other characteristics of the 7-Hydroxy-4-methylcoumarin-3-acetic acid can be summarised as followings: (1)ACD/LogP: 2.23; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.44 ; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 6.27; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 5; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 3; (11)Polar Surface Area: 61.83 Å2; (12)Index of Refraction: 1.616; (13)Molar Refractivity: 57.23 cm3; (14)Molar Volume: 163.7 cm3; (15)Polarizability: 22.69×10-24cm3; (16)Surface Tension: 60 dyne/cm; (17)Density: 1.43 g/cm3; (18)Flash Point: 206 °C; (19)Enthalpy of Vaporization: 82.57 kJ/mol; (20)Boiling Point: 512.9 °C at 760 mmHg; (21)Vapour Pressure: 2.4E-11 mmHg at 25°C.

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

You can still convert the following datas into molecular structure:
1.SMILES: O=C(O)CC\1=C(\c2c(OC/1=O)cc(O)cc2)C
2.InChI: InChI=1/C12H10O5/c1-6-8-3-2-7(13)4-10(8)17-12(16)9(6)5-11(14)15/h2-4,13H,5H2,1H3,(H,14,15)
3.InChIKey: OOGKDHCQSZAEQI-UHFFFAOYAY

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