1H-Inden-1-one,2,3-dihydro-5,6-dimethoxy-2-(4-pyridinylmethylene)- (4803-74-1)

The 1H-Inden-1-one,2,3-dihydro-5,6-dimethoxy-2-(4-pyridinylmethylene)- , with cas registry number of 4803-74-1, belongs to the categories of (1)Aromatics Compounds; (2)Aromatics; (3)Heterocycles; (4)Impurities; (5)Intermediates & Fine Chemicals; (6)Pharmaceuticals. Its systematic name is called 1H-inden-1-one, 2,3-dihydro-5,6-dimethoxy-2-(4-pyridinylmethylene)- . This chemical also has other synonyms such as 5,6-Dimethoxy-2-(pyridine-4-yl)methylene-indan-1-one ; 2,3-Dihydro-5,6-dimethoxy-2-(4-pyridinylmethylene)-1H-inden-1-one .

Physical properties about this chemical are: (1) ACD/LogP: 2.62 ; (2) # of Rule of 5 Violations: 0 ; (3) ACD/LogD (pH 5.5): 2.59 ; (4) ACD/LogD (pH 7.4): 2.62 ; (5) ACD/BCF (pH 5.5): 53.84 ; (6) ACD/BCF (pH 7.4): 57.38 ; (7) ACD/KOC (pH 5.5): 592.59 ; (8) ACD/KOC (pH 7.4): 631.57 ; (9) #H bond acceptors: 4 ; (10) #H bond donors: 0 ; (11) #Freely Rotating Bonds: 3 ; (12) Index of Refraction: 1.639 ; (13) Molar Refractivity: 80.64 cm³ ; (14) Molar Volume: 224 cm³ ; (15) Surface Tension: 54.3 dyne/cm ; (16) Density: 1.255 g/cm³ ; (17) Flash Point: 256.1 °C ; (18) Enthalpy of Vaporization: 76.83 kJ/mol ; (19) Boiling Point: 499.9 °C at 760 mmHg ; (20) Vapour Pressure: 4E-10 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1) SMILES:COc1cc2c(cc1OC)C(=O)C(=Cc3ccncc3)C2;
(2) InChI:InChI=1/C17H15NO3/c1-20-15-9-12-8-13(7-11-3-5-18-6-4-11)17(19)14(12)10-16(15)21-2/h3-7,9-10H,8H2,1-2H3;
(3) InChIKey:SUVQWDLUAIFZKM-UHFFFAOYAY