2-Propenoic acid,3-(1H-indol-3-yl)- (1204-06-4)

The Indole-3-acrylic acid, with its CAS registry number 1204-06-4, has the IUPAC name of (E)-3-(1H-indol-3-yl)prop-2-enoic acid. For being a kind of light yellow crystalline powder, its product categories are including Indoles and derivatives; Indole; Organic acids; Analytical Chemistry; Indoles; Mass Spectrometry; Matrix Materials; Simple Indoles.

The physical properties of this chemical are as below: (1)ACD/LogP: 2.67; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2; (4)ACD/LogD (pH 7.4): 0; (5)ACD/BCF (pH 5.5): 9; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 119; (8)ACD/KOC (pH 7.4): 2; (9)#H bond acceptors: 3; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 53.09; (13)Index of Refraction: 1.75; (14)Molar Refractivity: 55.983 cm³; (15)Molar Volume: 137.473 cm³; (16)Polarizability: 22.193×10^-24 cm³; (17)Surface Tension: 68.479 dyne/cm; (18)Density: 1.362 g/cm³; (19)Flash Point: 215.558 °C; (20)Enthalpy of Vaporization: 72.59 kJ/mol; (21)Boiling Point: 432.813 °C at 760 mmHg; (22)Exact Mass: 187.063329; (23)MonoIsotopic Mass: 187.063329; (24)Topological Polar Surface Area: 53.1; (25)Heavy Atom Count: 14; (26)Complexity: 250.

When you are dealing with this chemical, you should be careful. This chemical is irritating to eyes, respiratory system and skin and may cause inflammation to the skin or other mucous membranes. Therefore, you should wear protective clothing, suitable gloves and eye/face protection. And if in case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
 
In addition, you could convert the following datas into the molecular structure:
(1)Canonical SMILES: C1=CC=C2C(=C1)C(=CN2)C=CC(=O)O
(2)Isomeric SMILES: C1=CC=C2C(=C1)C(=CN2)/C=C/C(=O)O
(3)InChI: InChI=1S/C11H9NO2/c13-11(14)6-5-8-7-12-10-4-2-1-3-9(8)10/h1-7,12H,(H,13,14)/b6-5+