CAS No.2770-92-5,2-(1H-Indol-3-yl)-2-methyl-propionic acid Suppliers

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Basic Information

Molecular Structure:
CAS No.:	2770-92-5
Name:	2-(1H-Indol-3-yl)-2-methyl-propionic acid

Formula:	C₁₂H₁₃NO₂
Molecular Weight:	203.24072
Synonyms:	2-Indol-3-yl-2-methyl-propionsaeure;2-indol-3-yl-2-methyl-propionic acid;
Density:	1.245 g/cm³
Melting Point:	135 °C(Solv: chloroform (67-66-3); ligroine (8032-32-4))
Boiling Point:	404.225 °C at 760 mmHg
Flash Point:	198.268 °C
PSA:	53.09000
LogP:	2.53010

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Specification

The CAS register number of 2-(1H-Indol-3-yl)-2-methyl-propionic acid is 2770-92-5. The molecular formula about this chemical is C₁₂H₁₃NO₂ and the molecular weight is 203.24072.

Physical properties about 2-(1H-Indol-3-yl)-2-methyl-propionic acid are: (1)ACD/LogP: 2.18; (2)ACD/BCF (pH 5.5): 7.393; (3)ACD/BCF (pH 7.4): 1; (4)ACD/KOC (pH 5.5): 101.108; (5)ACD/KOC (pH 7.4): 1.814; (6)#H bond acceptors: 3; (7)#H bond donors: 2; (8)#Freely Rotating Bonds: 2; (9)Polar Surface Area: 53.09 Å²; (10)Index of Refraction: 1.636; (11)Molar Refractivity: 58.48 cm³; (12)Molar Volume: 163.185 cm³; (13)Polarizability: 23.183x10^-24cm³; (14)Surface Tension: 53.118 dyne/cm; (15)Density: 1.245 g/cm³; (16)Flash Point: 198.268 °C; (17)Enthalpy of Vaporization: 69.137 kJ/mol; (18)Boiling Point: 404.225 °C at 760 mmHg.

You can still convert the following datas into molecular structure:
(1)SMILES: CC(C)(c1c[nH]c2c1cccc2)C(=O)O
(2)InChI: InChI=1/C12H13NO2/c1-12(2,11(14)15)9-7-13-10-6-4-3-5-8(9)10/h3-7,13H,1-2H3,(H,14,15)
(3)InChIKey: FCCAHDWYBGCCMD-UHFFFAOYAO
(4)Std. InChI: InChI=1S/C12H13NO2/c1-12(2,11(14)15)9-7-13-10-6-4-3-5-8(9)10/h3-7,13H,1-2H3,(H,14,15)
(5)Std. InChIKey: FCCAHDWYBGCCMD-UHFFFAOYSA-N