Spiro[4H-1-benzazepine-4,1'-[2]cyclopentene]-3'-carboxylicacid, 1,2,3,5-tetrahydro- (813426-13-0)

The 1,2,3,5-Tetrahydrospiro[4H-1-benzazepine-4,1''-[2]cyclopentene]-3''-carboxylic acid is an organic compound with the formula C₁₅H₁₇NO₂. The systematic name of this chemical is 1,2,3,5-tetrahydrospiro[1-benzazepine-4,1'-cyclopent[2]ene]-3'-carboxylic acid. With the CAS registry number 813426-13-0, it is also named as Spiro[4H-1-benzazepine-4,1'-cyclopent[2]ene]-3'-carboxylic acid, 1,2,3,5-tetrahydro-.

Physical properties about 1,2,3,5-Tetrahydrospiro[4H-1-benzazepine-4,1''-[2]cyclopentene]-3''-carboxylic acid are: (1)ACD/LogP: 3.07; (2)ACD/LogD (pH 5.5): 2.198; (3)ACD/LogD (pH 7.4): 0.559; (4)ACD/BCF (pH 5.5): 17.049; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 150.035; (7)ACD/KOC (pH 7.4): 3.443; (8)#H bond acceptors: 3; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 1; (11)Polar Surface Area: 49.33 Å²; (12)Index of Refraction: 1.627; (13)Molar Refractivity: 69.329 cm³; (14)Molar Volume: 195.616 cm³; (15)Polarizability: 27.484×10^-24cm³; (16)Surface Tension: 55.564 dyne/cm; (17)Density: 1.244 g/cm³; (18)Flash Point: 227.047 °C; (19)Enthalpy of Vaporization: 74.916 kJ/mol; (20)Boiling Point: 451.81 °C at 760 mmHg.

You can still convert the following datas into molecular structure:
(1)SMILES: c1ccc2c(c1)CC3(CCC(=C3)C(=O)O)CCN2
(2)InChI: InChI=1/C15H17NO2/c17-14(18)12-5-6-15(10-12)7-8-16-13-4-2-1-3-11(13)9-15/h1-4,10,16H,5-9H2,(H,17,18)
(3)InChIKey: UJGOKTVNHDTZTN-UHFFFAOYAB
(4)Std. InChI: InChI=1S/C15H17NO2/c17-14(18)12-5-6-15(10-12)7-8-16-13-4-2-1-3-11(13)9-15/h1-4,10,16H,5-9H2,(H,17,18)
(5)Std. InChIKey: UJGOKTVNHDTZTN-UHFFFAOYSA-N