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Spiro[furo[3,4-c]pyridine-1(3H),4'-piperidin]-3-one

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Name

Spiro[furo[3,4-c]pyridine-1(3H),4'-piperidin]-3-one

EINECS N/A
CAS No. 781609-42-5 Density 1.31 g/cm3
PSA 51.22000 LogP 1.15950
Solubility N/A Melting Point N/A
Formula C11H12N2O2 Boiling Point 440 °C at 760 mmHg
Molecular Weight 204.23 Flash Point 219.9 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 781609-42-5 (Spiro[furo[3,4-c]pyridine-1(3H),4'-piperidin]-3-one) Hazard Symbols N/A
Synonyms

3H-Spiro[furo[3,4-c]pyridine-1,4'-piperidin]-3-one;

 

Spiro[furo[3,4-c]pyridine-1(3H),4'-piperidin]-3-one Specification

The Spiro[furo[3,4-c]pyridine-1(3H),4'-piperidin]-3-one, with the CAS registry number 781609-42-5, is also known as 3H-Spiro[furo[3,4-c]pyridine-1,4'-piperidin]-3-one. This chemical's molecular formula is C11H12N2O2 and molecular weight is 204.23. What's more, its systematic name is called Spiro[furo[3,4-c]pyridine-1(3H),4'-piperidin]-3-one.

Physical properties about Spiro[furo[3,4-c]pyridine-1(3H),4'-piperidin]-3-one are: (1) # of Rule of 5 Violations: 0; (2) ACD/BCF (pH 5.5): 1; (3) ACD/BCF (pH 7.4): 1; (4) ACD/KOC (pH 5.5): 1; (5) ACD/KOC (pH 7.4): 1; (6) #H bond acceptors: 4; (7) #H bond donors: 1; (8) #Freely Rotating Bonds: 0; (9) Polar Surface Area: 51.22 Å2; (10) Index of Refraction: 1.609; (11) Molar Refractivity: 53.75 cm3; (12) Molar Volume: 155 cm3; (13) Surface Tension: 58.4 dyne/cm; (14) Density: 1.31 g/cm3; (15) Flash Point: 219.9 °C; (16) Enthalpy of Vaporization: 69.7 kJ/mol; (17) Boiling Point: 440 °C at 760 mmHg; (18) Vapour Pressure: 6.1E-08 mmHg at 25 °C. 

You can still convert the following datas into molecular structure:
(1) SMILES: c1cncc2c1C3(CCNCC3)OC2=O
(2) InChI: InChI=1/C11H12N2O2/c14-10-8-7-13-4-1-9(8)11(15-10)2-5-12-6-3-11/h1,4,7,12H,2-3,5-6H2
(3) InChIKey: YHGIDFARCXVVSC-UHFFFAOYAQ

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