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84400-98-6

Basic Information
CAS No.: 84400-98-6
Name: Furo[2,3-c]pyridin-7(6H)-one
Article Data: 9
Molecular Structure:
Molecular Structure of 84400-98-6 (Furo[2,3-c]pyridin-7(6H)-one)
Formula: C7H5NO2
Molecular Weight: 135.1201
Synonyms: 6H-Furo[2,3-c]pyridin-7-one;
Density: 1.288 g/cm3
Boiling Point: 372.805 °C at 760 mmHg
Flash Point: 179.266 °C
Hazard Symbols: Xn
Risk Codes: 22
PSA: 46.00000
LogP: 1.12110
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  • Furo[2,3-c]pyridine-7(6H)-one CAS No.84400-98-6

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Specification

The Furo[2,3-c]pyridin-7(6H)-one, with CAS registry number 84400-98-6, has the systematic name of furo[2,3-c]pyridin-7(6H)-one. And its IUPAC name is 6H-furo[2,3-c]pyridin-7-one. Its molecular weight is 135.1201. And the chemical formula of this chemical is C7H5NO2.

Physical properties of Furo[2,3-c]pyridin-7(6H)-one: (1)ACD/LogP: 1.62; (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): 10; (6)ACD/BCF (pH 7.4): 10; (7)ACD/KOC (pH 5.5): 181; (8)ACD/KOC (pH 7.4): 181; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 42.24 Å2; (13)Index of Refraction: 1.558; (14)Molar Refractivity: 33.809 cm3; (15)Molar Volume: 104.881 cm3; (16)Polarizability: 13.403×10-24cm3; (17)Surface Tension: 43.134 dyne/cm; (18)Density: 1.288 g/cm3; (19)Flash Point: 179.266 °C; (20)Enthalpy of Vaporization: 61.999 kJ/mol; (21)Boiling Point: 372.805 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: c1c[nH]c(=O)c2c1cco2
(2)InChI: InChI=1/C7H5NO2/c9-7-6-5(1-3-8-7)2-4-10-6/h1-4H,(H,8,9)
(3)InChIKey: SHSNAKRNZGOTJL-UHFFFAOYAZ
(4)Std. InChI: InChI=1S/C7H5NO2/c9-7-6-5(1-3-8-7)2-4-10-6/h1-4H,(H,8,9)
(5)Std. InChIKey: SHSNAKRNZGOTJL-UHFFFAOYSA-N