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84638-71-1

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Basic Information
CAS No.: 84638-71-1
Name: METHYL 7-METHOXY-1H-INDOLE-2-CARBOXYLATE
Article Data: 4
Molecular Structure:
Molecular Structure of 84638-71-1 (METHYL 7-METHOXY-1H-INDOLE-2-CARBOXYLATE)
Formula: C11H11NO3
Molecular Weight: 205.213
Synonyms: Methyl 7-methoxy-1H-indole-2-carboxylate;Methyl 7-methoxyindole-2-carboxylate;
Density: 1.253 g/cm3
Melting Point: 120 °C
Boiling Point: 370.062 °C at 760 mmHg
Flash Point: 177.608 °C
PSA: 51.32000
LogP: 1.96310
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  • 7-Methoxy-1H-indole-2-carboxylic Acid Methyl Ester

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  • Methyl 7-methoxy-1H-indole-2-carboxylate

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    Methyl 7-methoxy-1H-indole-2-carboxylate

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Specification

The 1H-Indole-2-carboxylicacid, 7-methoxy-, methyl ester, with the CAS registry number 84638-71-1, is also known as Methyl 7-methoxyindole-2-carboxylate. This chemical's molecular formula is C11H11NO3 and molecular weight is 205.21. What's more, its systematic name is methyl 7-methoxy-1H-indole-2-carboxylate. 

Physical properties of 1H-Indole-2-carboxylicacid, 7-methoxy-, methyl ester are: (1)ACD/LogP: 2.55; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2; (4)ACD/LogD (pH 7.4): 2; (5)ACD/BCF (pH 5.5): 46; (6)ACD/BCF (pH 7.4): 46; (7)ACD/KOC (pH 5.5): 536; (8)ACD/KOC (pH 7.4): 536; (9)#H bond acceptors: 4; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 51.32 Å2; (13)Index of Refraction: 1.613; (14)Molar Refractivity: 56.98 cm3; (15)Molar Volume: 163.767 cm3; (16)Polarizability: 22.589×10-24cm3; (17)Surface Tension: 48.524 dyne/cm; (18)Density: 1.253 g/cm3; (19)Flash Point: 177.608 °C; (20)Enthalpy of Vaporization: 61.691 kJ/mol; (21)Boiling Point: 370.062 °C at 760 mmHg.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OC)c2cc1cccc(OC)c1n2
(2)InChI: InChI=1S/C11H11NO3/c1-14-9-5-3-4-7-6-8(11(13)15-2)12-10(7)9/h3-6,12H,1-2H3
(3)InChIKey: OMKLIYMSJTUMRD-UHFFFAOYSA-N