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1-Butanone,3-hydroxy-1-(3-pyridinyl)-

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Name

1-Butanone,3-hydroxy-1-(3-pyridinyl)-

EINECS N/A
CAS No. 100021-46-3 Density 1.138 g/cm3
PSA N/A LogP N/A
Solubility N/A Melting Point N/A
Formula C9H11 N O2 Boiling Point 332.9 °C at 760 mmHg
Molecular Weight 165.1891 Flash Point 155.1 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 100021-46-3 (3-hydroxy-1-(pyridin-3-yl)butan-1-one) Hazard Symbols N/A
Synonyms

3-Hydroxy-1-pyridin-3-ylbutan-1-one;

 

1-Butanone,3-hydroxy-1-(3-pyridinyl)- Specification

The 1-Butanone,3-hydroxy-1-(3-pyridinyl)-, with the CAS registry number 100021-46-3, is also known as 3-Hydroxy-1-(pyridin-3-yl)butan-1-one. This chemical's molecular formula is C9H11NO2 and molecular weight is 165.1891. What's more, its IUPAC name is called 3-Hydroxy-1-pyridin-3-ylbutan-1-one.

Physical properties about 1-Butanone,3-hydroxy-1-(3-pyridinyl)- are: (1)ACD/LogP: 0.11; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 3; (4)#H bond donors: 1; (5)#Freely Rotating Bonds: 4; (6)Polar Surface Area: 39.19 Å2; (7)Index of Refraction: 1.534; (8)Molar Refractivity: 45.13 cm3; (9)Molar Volume: 145 cm3; (10)Surface Tension: 47.2 dyne/cm; (11)Density: 1.138 g/cm3; (12)Flash Point: 155.1 °C; (13)Enthalpy of Vaporization: 60.77 kJ/mol; (14)Boiling Point: 332.9 °C at 760 mmHg ; (15)Vapour Pressure: 5.63E-05 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C(c1cccnc1)CC(O)C
(2) InChI: InChI=1/C9H11NO2/c1-7(11)5-9(12)8-3-2-4-10-6-8/h2-4,6-7,11H,5H2,1H3
(3) InChIKey: CDRFMXKQBOUMKP-UHFFFAOYAD

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