1H-Indole-2-carboxylicacid, 3-formyl-, ethyl ester supplier

Name
3-FORMYL-1H-INDOLE-2-CARBOXYLIC ACID ETHYL ESTER
EINECS
CAS No. 18450-27-6
Article Data25
CAS DataBase
Density 1.293 g/cm³
Solubility
Melting Point 186-188 ºC
Formula C₁₂H₁₁NO₃
Boiling Point 428.5 °C at 760 mmHg
Molecular Weight 217.224
Flash Point 212.9 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 3-Formyl-1H-indole-2-carboxylic acid ethyl ester;
PSA 59.16000
LogP 2.15710

1H-Indole-2-carboxylicacid, 3-formyl-, ethyl ester Specification

The 1H-Indole-2-carboxylicacid, 3-formyl-, ethyl ester, with the CAS registry number 18450-27-6, is also known as 3-Formyl-1H-indole-2-carboxylic acid ethyl ester. It belongs to the product category of Pharmacetical. This chemical's molecular formula is C₁₂H₁₁NO₃ and molecular weight is 217.2206. What's more, its systematic name is Ethyl 3-formyl-1H-indole-2-carboxylate.

Physical properties about 1H-Indole-2-carboxylicacid, 3-formyl-, ethyl ester are: (1)ACD/LogP: 2.09; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.09; (4)ACD/LogD (pH 7.4): 2.09; (5)ACD/BCF (pH 5.5): 22.95; (6)ACD/BCF (pH 7.4): 22.95; (7)ACD/KOC (pH 5.5): 327.84; (8)ACD/KOC (pH 7.4): 327.84; (9)#H bond acceptors: 4; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 48.3 Å²; (13)Index of Refraction: 1.655; (14)Molar Refractivity: 61.68 cm³; (15)Molar Volume: 167.9 cm³; (16)Polarizability: 24.45×10^-24cm³; (17)Surface Tension: 56.4 dyne/cm; (18)Density: 1.293 g/cm³; (19)Flash Point: 212.9 °C; (20)Enthalpy of Vaporization: 68.36 kJ/mol; (21)Boiling Point: 428.5 °C at 760 mmHg; (22)Vapour Pressure: 1.51E-07 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: O=Cc2c1ccccc1nc2C(=O)OCC
(2) InChI: InChI=1/C12H11NO3/c1-2-16-12(15)11-9(7-14)8-5-3-4-6-10(8)13-11/h3-7,13H,2H2,1H3
(3) InChIKey: UHTMDXSOGQARCU-UHFFFAOYAK

Product Name

3-FORMYL-1H-INDOLE-2-CARBOXYLIC ACID ETHYL ESTER

1H-Indole-2-carboxylicacid, 3-formyl-, ethyl ester Specification

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