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29475-88-5

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Basic Information
CAS No.: 29475-88-5
Name: 2-STYRYLINDOLE
Article Data: 20
Molecular Structure:
Molecular Structure of 29475-88-5 (2-STYRYLINDOLE)
Formula: C16H13N
Molecular Weight: 219.286
Synonyms: 1H-Indole,2-(2-phenylethenyl)-, (E)-;Indole, 2-styryl-, (E)- (8CI);
Density: 1.185 g/cm3
Boiling Point: 409.885 °C at 760 mmHg
Flash Point: 182.303 °C
PSA: 15.79000
LogP: 4.33830
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    2-STYRYLINDOLEAppearance:white crystalline powder Storage:Store in dry, dark and ventilated place Package:25KG drum Application:intermediate Transportation:by air, by sea, by express

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    2-Styrylindole

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Specification

The 1H-Indole,2-[(1E)-2-phenylethenyl]-, with the CAS registry number 29475-88-5, is also known as Indole, 2-styryl-, (E)- (8CI). It belongs to the product category of Pharmacetical. This chemical's molecular formula is C16H13N and molecular weight is 219.28. Its systematic name is called 2-[(E)-2-phenylethenyl]-1H-indole.

Physical properties of 1H-Indole,2-[(1E)-2-phenylethenyl]-: (1)ACD/LogP: 4.91; (2)ACD/LogD (pH 5.5): 5; (3)ACD/LogD (pH 7.4): 5; (4)ACD/BCF (pH 5.5): 2429; (5)ACD/BCF (pH 7.4): 2429; (6)ACD/KOC (pH 5.5): 9223; (7)ACD/KOC (pH 7.4): 9223; (8)#H bond acceptors: 1; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 2; (11)Index of Refraction: 1.757; (12)Molar Refractivity: 75.922 cm3; (13)Molar Volume: 185.079 cm3; (14)Surface Tension: 55.604 dyne/cm; (15)Density: 1.185 g/cm3; (16)Flash Point: 182.303 °C; (17)Enthalpy of Vaporization: 63.639 kJ/mol; (18)Boiling Point: 409.885 °C at 760 mmHg; (19)Vapour Pressure: 0 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: c1cccc3c1cc(\C=C\c2ccccc2)n3
(2)InChI: InChI=1/C16H13N/c1-2-6-13(7-3-1)10-11-15-12-14-8-4-5-9-16(14)17-15/h1-12,17H/b11-10+
(3)InChIKey: IINBTRZAAVTTRD-ZHACJKMWBL