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1H-Indole-3-carboxaldehyde, 1-(2-propen-1-yl)-

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Name

1H-Indole-3-carboxaldehyde, 1-(2-propen-1-yl)-

EINECS N/A
CAS No. 111480-86-5 Density 1.05 g/cm3
PSA 22.00000 LogP 2.63980
Solubility N/A Melting Point 73-74 °C
Formula C12H11NO Boiling Point 339.2 °C at 760 mmHg
Molecular Weight 185.225 Flash Point 158.9 °C
Transport Information N/A Appearance N/A
Safety 26-36/37 Risk Codes  Xi:;
Molecular Structure Molecular Structure of 111480-86-5 (1-ALLYL-1H-INDOLE-3-CARBALDEHYDE) Hazard Symbols IrritantXi
Synonyms

1-Allyl-1H-indole-3-carbaldehyde;1-Prop-2-enylindole-3-carbaldehyde;

Article Data 26

1H-Indole-3-carboxaldehyde, 1-(2-propen-1-yl)- Specification

The 1H-Indole-3-carboxaldehyde, 1-(2-propen-1-yl)-, with the CAS registry number 111480-86-5, is also known as 1-Allyl-1H-indole-3-carbaldehyde. This chemical's molecular formula is C12H11NO and molecular weight is 185.22. What's more, its IUPAC name is 1-prop-2-enylindole-3-carbaldehyde. 

Physical properties of 1H-Indole-3-carboxaldehyde, 1-(2-propen-1-yl)- are: (1)ACD/LogP: 2.74; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 2; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 3; (6)Polar Surface Area: 22 Å2; (7)Index of Refraction: 1.565; (8)Molar Refractivity: 57.37 cm3; (9)Molar Volume: 175.9 cm3; (10)Surface Tension: 39.2 dyne/cm; (11)Density: 1.05 g/cm3; (12)Flash Point: 158.9 °C; (13)Enthalpy of Vaporization: 58.26 kJ/mol; (14)Boiling Point: 339.2 °C at 760 mmHg; (15)Vapour Pressure: 9.35E-05 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C=CCN1C=C(C2=CC=CC=C21)C=O
(2)InChI: InChI=1S/C12H11NO/c1-2-7-13-8-10(9-14)11-5-3-4-6-12(11)13/h2-6,8-9H,1,7H2
(3)InChIKey: UFIVJAIYQNRQOK-UHFFFAOYSA-N

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