CAS No.53855-47-3,ETHYL 2-METHYL-2,3-DIHYDRO-INDOLE-3-CARBOXYLATE Suppliers

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Basic Information

Molecular Structure:
CAS No.:	53855-47-3
Name:	ETHYL 2-METHYL-2,3-DIHYDRO-INDOLE-3-CARBOXYLATE
Article Data:	3

Formula:	C₁₂H₁₃NO₂
Molecular Weight:	203.241
Synonyms:	2-Methyl-1H-indole-3-carboxylicacid ethyl ester;Ethyl 2-methylindole-3-carboxylate;
Density:	1.177 g/cm³
Melting Point:	134-136 °C(lit.)
Boiling Point:	344.1 °C at 760 mmHg
Flash Point:	161.9 °C
PSA:	42.09000
LogP:	2.65300

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Specification

The 1H-Indole-3-carboxylicacid, 2-methyl-, ethyl ester, with the CAS registry number 53855-47-3, is also known as Ethyl 2-methylindole-3-carboxylate. It belongs to the product categories of Pharmacetical; Indole; Heterocyclic Compounds; Building Blocks; Heterocyclic Building Blocks; Indoles. This chemical's molecular formula is C₁₂H₁₃NO₂ and molecular weight is 203.24. Its IUPAC name is called ethyl 2-methyl-1H-indole-3-carboxylate. The product should be sealed and stored in cool and dry place.

Physical properties of 1H-Indole-3-carboxylicacid, 2-methyl-, ethyl ester: (1)ACD/LogP: 3.53; (2)ACD/LogD (pH 5.5): 3.53; (3)ACD/LogD (pH 7.4): 3.53; (4)ACD/BCF (pH 5.5): 284.42; (5)ACD/BCF (pH 7.4): 284.42; (6)ACD/KOC (pH 5.5): 1986.8; (7)ACD/KOC (pH 7.4): 1986.8; (8)#H bond acceptors: 3; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 3; (11)Index of Refraction: 1.609; (12)Molar Refractivity: 59.75 cm³; (13)Molar Volume: 172.5 cm³; (14)Surface Tension: 47.5 dyne/cm; (15)Density: 1.177 g/cm³; (16)Flash Point: 161.9 °C; (17)Enthalpy of Vaporization: 58.81 kJ/mol; (18)Boiling Point: 344.1 °C at 760 mmHg; (19)Vapour Pressure: 6.72E-05 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CCOC(=O)C1=C(NC2=CC=CC=C21)C
(2)InChI: InChI=1S/C12H13NO2/c1-3-15-12(14)11-8(2)13-10-7-5-4-6-9(10)11/h4-7,13H,3H2,1-2H3
(3)InChIKey: ICXKIKDXKRONLF-UHFFFAOYSA-N