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104501-59-9

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Basic Information
CAS No.: 104501-59-9
Name: Ethanone, 2-hydroxy-1-(3-pyridinyl)- (9CI)
Article Data: 3
Molecular Structure:
Molecular Structure of 104501-59-9 (Ethanone, 2-hydroxy-1-(3-pyridinyl)- (9CI))
Formula: C7H7NO2
Molecular Weight: 137.138
Synonyms: Pyridine,3-glycolyl- (4CI);3-(Hydroxyacetyl)pyridine;2-Hydroxy-1-(3-pyridyl)ethanone;
Density: 1.227 g/cm3
Melting Point: 41-42 °C
Boiling Point: 290.6 °C at 760 mmHg
Flash Point: 129.5 °C
PSA: 50.19000
LogP: 0.25660
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Specification

The Ethanone,2-hydroxy-1-(3-pyridinyl)-, with the CAS registry number 104501-59-9, is also known as 3-(Hydroxyacetyl)pyridine. It belongs to the product category of Pyridine. This chemical's molecular formula is C7H7NO2 and molecular weight is 137.14. What's more, its systematic name is 2-hydroxy-1-(3-pyridyl)ethanone.

Physical properties of Ethanone,2-hydroxy-1-(3-pyridinyl)- are: (1)# of Rule of 5 Violations: 0; (2)#H bond acceptors: 3; (3)#H bond donors: 1; (4)#Freely Rotating Bonds: 3; (5)Polar Surface Area: 50.19 Å2; (6)Index of Refraction: 1.556; (7)Molar Refractivity: 35.9 cm3; (8)Molar Volume: 111.6 cm3; (9)Polarizability: 14.23×10-24cm3; (10)Surface Tension: 54.3 dyne/cm; (11)Density: 1.227 g/cm3; (12)Flash Point: 129.5 °C; (13)Enthalpy of Vaporization: 55.97 kJ/mol; (14)Boiling Point: 290.6 °C at 760 mmHg; (15)Vapour Pressure: 0.000944 mmHg at 25°C.

Preparation of Ethanone,2-hydroxy-1-(3-pyridinyl)-: this chemical can be prepared by 3-(2-Hydroxy-1,1-dimethoxyethyl)-pyridine at the ambient temperature. This reaction will need reagent 6M HCl and solvent H2O with the reaction time of 20 hours. The yield is about 70%.

Ethanone,2-hydroxy-1-(3-pyridinyl)- can be prepared by 3-(2-Hydroxy-1,1-dimethoxyethyl)-pyridine at the ambient temperature

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(CO)c1cccnc1
(2)InChI: InChI=1S/C7H7NO2/c9-5-7(10)6-2-1-3-8-4-6/h1-4,9H,5H2
(3)InChIKey: APHOGJYLIQFYOL-UHFFFAOYSA-N