This chemical is called 4-Benzofurancarboxylicacid, 2,3-dihydro-, and it can also be named as 2,3-Dihydrobenzofuran-4-carboxylicacid. With the molecular formula of C9H8O3, its molecular weight is 164.15802. The CAS registry number of this chemical is 209256-40-6.
Other characteristics of the 4-Benzofurancarboxylicacid, 2,3-dihydro- can be summarised as followings: (1)ACD/LogP: 2.03; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.21; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 4.63; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 3; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 1; (11)Polar Surface Area: 46.53 Å2; (12)Index of Refraction: 1.61; (13)Molar Refractivity: 42.35 cm3; (14)Molar Volume: 122 cm3; (15)Polarizability: 16.78×10-24 cm3; (16)Surface Tension: 60.2 dyne/cm; (17)Density: 1.344 g/cm3; (18)Flash Point: 138.4 °C; (19)Enthalpy of Vaporization: 60.21 kJ/mol; (20)Boiling Point: 328 °C at 760 mmHg; (21)Vapour Pressure: 7.88E-05 mmHg at 25°C.
You can still convert the following datas into molecular structure:
1.SMILES: OC(=O)c1cccc2OCCc12
2.InChI: InChI=1/C9H8O3/c10-9(11)7-2-1-3-8-6(7)4-5-12-8/h1-3H,4-5H2,(H,10,11)
3.InChIKey: CHDSHBWEGSCEDX-UHFFFAOYAJ
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