2-Propenoic acid,3-(6-amino-3-pyridinyl)-, (2E)- (167837-43-6)

The (2E)-3-(6-Amino-3-pyridinyl)-2-propenoic acid with the CAS number 167837-43-6 is also called 2-Propenoic acid,3-(6-amino-3-pyridinyl)-, (2E)-. The systematic name is (2E)-3-(6-aminopyridin-3-yl)prop-2-enoic acid. Its molecular formula is C₈H₈N₂O₂. This chemical is a kind of organics. It should be stored in dry and cool environment.

The properties of the (2E)-3-(6-Amino-3-pyridinyl)-2-propenoic acid are: (1)ACD/LogP: 0.14; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1; (4)ACD/LogD (pH 7.4): -2; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 4; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 76.21 Å²; (13)Index of Refraction: 1.689; (14)Molar Refractivity: 46.034 cm³; (15)Molar Volume: 120.539 cm³; (16)Polarizability: 18.249×10^-24cm³; (17)Surface Tension: 72.728 dyne/cm; (18)Enthalpy of Vaporization: 68.021 kJ/mol; (19)Vapour Pressure: 0 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)/C=C/c1cnc(N)cc1
(2)InChI: InChI=1/C8H8N2O2/c9-7-3-1-6(5-10-7)2-4-8(11)12/h1-5H,(H2,9,10)(H,11,12)/b4-2+
(3)InChIKey: RKTFOZFRTWRSLT-DUXPYHPUBB