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781609-42-5

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Basic Information
CAS No.: 781609-42-5
Name: Spiro[furo[3,4-c]pyridine-1(3H),4'-piperidin]-3-one
Molecular Structure:
Molecular Structure of 781609-42-5 (Spiro[furo[3,4-c]pyridine-1(3H),4'-piperidin]-3-one)
Formula: C11H12N2O2
Molecular Weight: 204.23
Synonyms: 3H-Spiro[furo[3,4-c]pyridine-1,4'-piperidin]-3-one;
Density: 1.31 g/cm3
Boiling Point: 440 °C at 760 mmHg
Flash Point: 219.9 °C
PSA: 51.22000
LogP: 1.15950
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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