CAS No.17372-53-1,6-METHOXYCOUMARIN Suppliers

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Basic Information

Molecular Structure:
CAS No.:	17372-53-1
Name:	6-METHOXYCOUMARIN
Article Data:	2

Formula:	C₁₀H₈O₃
Molecular Weight:	176.172
Synonyms:	Coumarin,6-methoxy- (6CI,7CI,8CI);6-Methoxycoumarin;6-methoxy-2H-chromen-2-one;2H-1-benzopyran-2-one, 6-methoxy-;
Density:	1.248 g/cm³
Melting Point:	189-191 °C
Boiling Point:	348.2 °C at 760 mmHg
Flash Point:	144.7 °C
Hazard Symbols:	Xi
Risk Codes:	36/37/38
Safety:	26-36
PSA:	39.44000
LogP:	1.80160

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Specification

The 2H-1-Benzopyran-2-one,6-methoxy-, with the CAS registry number 17372-53-1, has the systematic name of 6-methoxy-2H-chromen-2-one. It belongs to the product categories of Coumarins and Fused Ring Systems. And the molecular formula of the chemical is C₁₀H₈O₃.

The characteristics of 2H-1-Benzopyran-2-one,6-methoxy- are as followings: (1)ACD/LogP: 1.31; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.31; (4)ACD/LogD (pH 7.4): 1.31; (5)ACD/BCF (pH 5.5): 5.78; (6)ACD/BCF (pH 7.4): 5.78; (7)ACD/KOC (pH 5.5): 122.21; (8)ACD/KOC (pH 7.4): 122.21; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 35.53 Å²; (13)Index of Refraction: 1.572; (14)Molar Refractivity: 46.44 cm³; (15)Molar Volume: 141 cm³; (16)Polarizability: 18.41×10^-24cm³; (17)Surface Tension: 44.4 dyne/cm; (18)Density: 1.248 g/cm³; (19)Flash Point: 144.7 °C; (20)Enthalpy of Vaporization: 59.25 kJ/mol; (21)Boiling Point: 348.2 °C at 760 mmHg; (22)Vapour Pressure: 5.12E-05 mmHg at 25°C.

You should be cautious while dealing with this chemical. It irritates to eyes, respiratory system and skin. Therefore, you had better take the following instructions: Wear suitable protective clothing, and if in case of contacting with eyes, rinse immediately with plenty of water and seek medical advice.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: O=C/2Oc1ccc(OC)cc1\C=C\2
(2)InChI: InChI=1/C10H8O3/c1-12-8-3-4-9-7(6-8)2-5-10(11)13-9/h2-6H,1H3
(3)InChIKey: VKVCJIMMVPXDQD-UHFFFAOYAB