4-(Pyridin-3-yl)-but-3-en-2-one supplier

Name
4-(Pyridin-3-yl)-but-3-en-2-one
EINECS
CAS No. 28447-16-7
Article Data18
CAS DataBase
Density 1.072 g/cm³
Solubility
Melting Point
Formula C₉H₉NO
Boiling Point 280.5 °C at 760 mmHg
Molecular Weight 147.17386
Flash Point 130.9 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 3-Buten-2-one,4-(3-pyridinyl);1-(pyridin-3-yl)but-1-en-3-one;4-(pyridin-3-yl)-3-butene-2-one;4t-[3]Pyridyl-but-3-en-2-on;4t-[3]pyridyl-but-3-en-2-one;4-(pyridin-3-yl)-but-3-en-2-one;
PSA 29.96000
LogP 1.68380

4-(Pyridin-3-yl)-but-3-en-2-one Specification

The 4-(Pyridin-3-yl)-but-3-en-2-one. Its CAS registry number is 28447-16-7. Moreover, its molecular formula is C₉H₉NO and its molecular weight is 147.17386.

Other characteristics of the 4-(Pyridin-3-yl)-but-3-en-2-one can be summarised as followings: (1)ACD/LogP: 0.93; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.92; (4)ACD/LogD (pH 7.4): 0.93; (5)ACD/BCF (pH 5.5): 2.92; (6)ACD/BCF (pH 7.4): 3; (7)ACD/KOC (pH 5.5): 74.43; (8)ACD/KOC (pH 7.4): 76.4; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 29.96 Å²; (13)Index of Refraction: 1.567; (14)Molar Refractivity: 44.89 cm³; (15)Molar Volume: 137.2 cm³; (16)Polarizability: 17.79×10^-24cm³; (17)Surface Tension: 41.9 dyne/cm; (18)Density: 1.072 g/cm³; (19)Flash Point: 130.9 °C; (20)Enthalpy of Vaporization: 51.92 kJ/mol; (21)Boiling Point: 280.5 °C at 760 mmHg; (22)Vapour Pressure: 0.00377 mmHg at 25°C.

You can still convert the following datas into molecular structure:
1.SMILES: O=C(C=Cc1cccnc1)C
2.InChI: InChI=1/C9H9NO/c1-8(11)4-5-9-3-2-6-10-7-9/h2-7H,1H3
3.InChIKey: USGRQYQNEMWBIP-UHFFFAOYAR

Product Name

4-(Pyridin-3-yl)-but-3-en-2-one

4-(Pyridin-3-yl)-but-3-en-2-one Specification

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