CAS No.122188-02-7,Etodolac methyl ester Suppliers

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Basic Information

Molecular Structure:
CAS No.:	122188-02-7
Name:	Etodolac methyl ester
Article Data:	12

Formula:	C₁₈H₂₃NO₃
Molecular Weight:	301.386
Synonyms:	Methyl (1,8-diethyl-1,3,4,9-tetrahydropyrano[3,4-b]indol-1-yl)acetate;Etodolac methyl ester;
EINECS:	601-924-2
Density:	1.132 g/cm³
Boiling Point:	447.406 °C at 760 mmHg
Flash Point:	224.383 °C
Appearance:	White Solid
PSA:	51.32000
LogP:	3.47140

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Specification

The Pyrano[3,4-b]indole-1-acetic acid, 1,8-diethyl-1,3,4,9-tetrahydro-, methyl ester, with the CAS registry number 122188-02-7, is also known as Etodolac methyl ester. It belongs to the product categories of Intermediates & Fine Chemicals; Pharmaceuticals. This chemical's molecular formula is C₁₈H₂₃NO₃ and molecular weight is 301.38. What's more, its systematic name is Methyl (1,8-diethyl-1,3,4,9-tetrahydropyrano[3,4-b]indol-1-yl)acetate. It is etodolac derivative.

Physical properties of Pyrano[3,4-b]indole-1-acetic acid, 1,8-diethyl-1,3,4,9-tetrahydro-, methyl ester are: (1)ACD/LogP: 3.796; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.80; (4)ACD/LogD (pH 7.4): 3.80; (5)ACD/BCF (pH 5.5): 451.47; (6)ACD/BCF (pH 7.4): 451.47; (7)ACD/KOC (pH 5.5): 2765.57; (8)ACD/KOC (pH 7.4): 2765.57; (9)#H bond acceptors: 4; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 51.32 Å²; (13)Index of Refraction: 1.566; (14)Molar Refractivity: 86.824 cm³; (15)Molar Volume: 266.125 cm³; (16)Polarizability: 34.42×10^-24cm³; (17)Surface Tension: 46.59 dyne/cm; (18)Density: 1.132 g/cm³; (19)Flash Point: 224.383 °C; (20)Enthalpy of Vaporization: 70.574 kJ/mol; (21)Boiling Point: 447.406 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OC)CC3(OCCc2c3nc1c(cccc12)CC)CC
(2)Std. InChI: InChI=1S/C18H23NO3/c1-4-12-7-6-8-13-14-9-10-22-18(5-2,11-15(20)21-3)17(14)19-16(12)13/h6-8,19H,4-5,9-11H2,1-3H3
(3)Std. InChIKey: CRRWJZHQYUTACF-UHFFFAOYSA-N