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112372-16-4

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Basic Information
CAS No.: 112372-16-4
Name: Furo[3,2-c]pyridine-2-carboxylic acid
Article Data: 1
Molecular Structure:
Molecular Structure of 112372-16-4 (Furo[3,2-c]pyridine-2-carboxylic acid)
Formula: C8H5NO3
Molecular Weight: 163.133
Synonyms: Furo[3,2-c]pyridine-2-carbonitrile(9CI);furo<3,2-c>pyridine-2-carboxylic acid;2-cyanofuro<3,2-c>pyridine;
Density: 1.455 g/cm3
Melting Point: >320 °C(Solv: ethanol (64-17-5); water (7732-18-5))
Boiling Point: 352.997 °C at 760 mmHg
Flash Point: 167.287 °C
PSA: 63.33000
LogP: 1.52600
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Specification

The Furo[3, 2-c]pyridine-2-carboxylic acid has CAS registry number 112372-16-4. This chemical's molecular formula is C8H5NO3 and molecular weight is 163.132. What's more, its systematic name is Furo[3, 2-c]pyridine-2-carboxylic acid.

Physical properties about Furo[3, 2-c]pyridine-2-carboxylic acid are: (1)ACD/LogP: 0.50; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -2; (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: 1; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 63.33 Å2; (13)Index of Refraction: 1.661; (14)Molar Refractivity: 41.416 cm3; (15)Molar Volume: 112.097 cm3; (16)Polarizability: 16.419×10-24 cm3; (17)Surface Tension: 67.546 dyne/cm; (18)Density: 1.455 g/cm3; (19)Flash Point: 167.287 °C; (20)Enthalpy of Vaporization: 63.091 kJ/mol; (21)Boiling Point: 352.997 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: OC(=O)c1cc2cnccc2o1
(2) InChI: InChI=1/C8H5NO3/c10-8(11)7-3-5-4-9-2-1-6(5)12-7/h1-4H,(H,10,11)
(3) InChIKey: SPWZDQUIUXNYBL-UHFFFAOYAQ