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100021-46-3

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

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

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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