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trans-7'-Oxo-spiro[cyclohexane-1,5'(7'H)-furo[3,4-b]pyridine]-4-carboxylic acid Specification

The trans-7'-Oxo-spiro[cyclohexane-1,5'(7'H)-furo[3,4-b]pyridine]-4-carboxylic acid, with the CAS registry number 328233-13-2, is also known as Spiro[cyclohexane-1,5'(7'H)-furo[3,4-b]pyridine]-4-carboxylic acid, 7'-oxo-. This chemical's molecular formula is C13H13NO4 and formula weight is 247.25. What's more, its systematic name is called 7'-Oxo-7'H-spiro[cyclohexane-1,5'-furo[3,4-b]pyridine]-4-carboxylic acid.

Physical properties about this chemical are: (1)ACD/LogP: 0.30; (2)# of Rule of 5 Violations: 0; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 3; (6)ACD/KOC (pH 7.4): 1; (7)#H bond acceptors: 5; (8)#H bond donors: 1; (9)#Freely Rotating Bonds: 1; (10)Polar Surface Area: 76.49 Å2; (11)Index of Refraction: 1.613; (12)Molar Refractivity: 60.998 cm3; (13)Molar Volume: 175.158 cm3; (14)Surface Tension: 66.873 dyne/cm; (15)Density: 1.412 g/cm3; (16)Flash Point: 279.598 °C; (17)Enthalpy of Vaporization: 85.876 kJ/mol; (18)Boiling Point: 538.704 °C at 760 mmHg; (19)Vapour Pressure: 0 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: OC(=O)C1CCC3(CC1)OC(=O)c2ncccc23
(2)InChI: InChI=1/C13H13NO4/c15-11(16)8-3-5-13(6-4-8)9-2-1-7-14-10(9)12(17)18-13/h1-2,7-8H,3-6H2,(H,15,16)
(3)InChIKey: QVKVHAMNAXHWKW-UHFFFAOYAX

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