3-Acetyl-5-methoxyindole supplier

Name
1-(5-METHOXY-1H-INDOL-3-YL)ETHANONE
EINECS
CAS No. 51843-22-2
Article Data32
CAS DataBase
Density 1.202 g/cm³
Solubility
Melting Point 286℃
Formula C₁₁H₁₁NO₂
Boiling Point 371.8 °C at 760 mmHg
Molecular Weight 189.214
Flash Point 178.7 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 3-Acetyl-5-methoxyindole;1-(5-Methoxy-1h-indol-3-yl)ethanone;
PSA 42.09000
LogP 2.37910

3-Acetyl-5-methoxyindole Specification

The CAS register number of Ethanone, 1-(5-methoxy-1H-indol-3-yl)- is 51843-22-2. It also can be called as 3-Acetyl-5-methoxyindole and the systematic name about this chemical is 1-(5-methoxy-1H-indol-3-yl)ethanone. The molecular formula about this chemical is C₁₁H₁₁NO₂ and the molecular weight is 189.21054.

Physical properties about Ethanone, 1-(5-methoxy-1H-indol-3-yl)- are: (1)ACD/LogP: 1.97; (2)ACD/LogD (pH 5.5): 1.97; (3)ACD/LogD (pH 7.4): 1.97; (4)ACD/BCF (pH 5.5): 18.65; (5)ACD/BCF (pH 7.4): 18.65; (6)ACD/KOC (pH 5.5): 282.56; (7)ACD/KOC (pH 7.4): 282.56; (8)#H bond acceptors: 3; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 2; (11)Polar Surface Area: 42.09 Å²; (12)Index of Refraction: 1.619; (13)Molar Refractivity: 55.23 cm³; (14)Molar Volume: 157.4 cm³; (15)Polarizability: 21.89x10^-24cm³; (16)Surface Tension: 47.1 dyne/cm; (17)Density: 1.202 g/cm³; (18)Flash Point: 178.7 °C; (19)Enthalpy of Vaporization: 61.89 kJ/mol; (20)Boiling Point: 371.8 °C at 760 mmHg; (21)Vapour Pressure: 1.01E-05 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1)SMILES: CC(=O)c2cnc1ccc(cc12)OC
(2)InChI: InChI=1/C11H11NO2/c1-7(13)10-6-12-11-4-3-8(14-2)5-9(10)11/h3-6,12H,1-2H3
(3)InChIKey: LHPUQMRYWUQVNA-UHFFFAOYAH
(4)Std. InChI: InChI=1S/C11H11NO2/c1-7(13)10-6-12-11-4-3-8(14-2)5-9(10)11/h3-6,12H,1-2H3
(5)Std. InChIKey: LHPUQMRYWUQVNA-UHFFFAOYSA-N

Product Name

1-(5-METHOXY-1H-INDOL-3-YL)ETHANONE

3-Acetyl-5-methoxyindole Specification

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