CAS No.4837-74-5,4-Methoxyindole-3-Acetonitrile Suppliers

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Basic Information

Molecular Structure:
CAS No.:	4837-74-5
Name:	4-Methoxyindole-3-Acetonitrile
Article Data:	12

Formula:	C₁₁H₁₀N₂O
Molecular Weight:	186.213
Synonyms:	4-Methoxyindole-3-acetonitrile;(1H)Indole, 4-methoxy-3-cynanomethyl-;2-(4-Methoxy-1H-indol-3-yl)ethanenitrile;
Density:	1.224 g/cm³
Melting Point:	141-142 °C
Boiling Point:	408.3 °C at 760 mmHg
Flash Point:	200.7 °C
PSA:	48.81000
LogP:	2.24258

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Specification

The 1H-Indole-3-acetonitrile,4-methoxy-, with the CAS registry number 4837-74-5, is also known as (1H)Indole, 4-methoxy-3-cynanomethyl-. This chemical's molecular formula is C₁₁H₁₀N₂O and molecular weight is 186.21. What's more, its systematic name is (4-methoxy-1H-indol-3-yl)acetonitrile.

Physical properties of 1H-Indole-3-acetonitrile,4-methoxy- are: (1)ACD/LogP: 1.29; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.29; (4)ACD/LogD (pH 7.4): 1.29; (5)ACD/BCF (pH 5.5): 5.61; (6)ACD/BCF (pH 7.4): 5.61; (7)ACD/KOC (pH 5.5): 119.66; (8)ACD/KOC (pH 7.4): 119.66; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 37.95 Å²; (13)Index of Refraction: 1.638; (14)Molar Refractivity: 54.66 cm³; (15)Molar Volume: 152 cm³; (16)Polarizability: 21.67×10^-24cm³; (17)Surface Tension: 54 dyne/cm; (18)Density: 1.224 g/cm³; (19)Flash Point: 200.7 °C; (20)Enthalpy of Vaporization: 66.03 kJ/mol; (21)Boiling Point: 408.3 °C at 760 mmHg; (22)Vapour Pressure: 7.09E-07 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: N#CCc2c1c(cccc1OC)nc2
(2)Std. InChI: InChI=1S/C11H10N2O/c1-14-10-4-2-3-9-11(10)8(5-6-12)7-13-9/h2-4,7,13H,5H2,1H3
(3)Std. InChIKey: DHOVDDVYXBMXDM-UHFFFAOYSA-N