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

Name
7-HYDROXY-4-METHYL-3-COUMARINYLACETIC ACID
EINECS
CAS No. 5852-10-8
Article Data3
CAS DataBase
Density 1.43 g/cm³
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
Appearance
Safety 26-36
Risk Codes 36/37/38
Molecular Structure
Hazard Symbols Xi
Synonyms 7-Hydroxy-4-methyl-2-oxo-2H-1-benzopyran-3-aceticacid;
PSA 87.74000
LogP 1.43410

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

Product Name

7-HYDROXY-4-METHYL-3-COUMARINYLACETIC ACID

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

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