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CAS No.: | 6302-03-0 |
---|---|
Name: | 3-(2-OXO-PROPYL)-PYRIDINIUM, CHLORIDE |
Article Data: | 15 |
Molecular Structure: | |
Formula: | C8H9NO |
Molecular Weight: | 135.166 |
Synonyms: | 2-Propanone,(3-pyridyl)- (6CI);1-(3-Pyridinyl)-2-propanone;3-Acetonylpyridine;NSC 42755;Methyl3-pyridylmethyl ketone;1-(pyridin-3-yl)propan-2-one; |
Density: | 1.046 g/cm3 |
Melting Point: | 110-115 °C |
Boiling Point: | 230.8 °C at 760 mmHg |
Flash Point: | 98.9 °C |
Hazard Symbols: | Xn |
Risk Codes: | 22 |
PSA: | 29.96000 |
LogP: | 2.01510 |
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The 2-Propanone,1-(3-pyridinyl)-, with the CAS registry number 6302-03-0, has the systematic name of 1-(pyridin-3-yl)propan-2-one. And the molecular formula of this chemical is C8H9NO. It is a kind of organics, and should be stored in the dry and cool environment.
The physical properties of 2-Propanone,1-(3-pyridinyl)- are as following: (1)ACD/LogP: -0.05; (2)# of Rule of 5 Violations: 0 ; (3)#H bond acceptors: 2; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 2; (6)Polar Surface Area: 29.96 Å2; (7)Index of Refraction: 1.509; (8)Molar Refractivity: 38.55 cm3; (9)Molar Volume: 129.1 cm3; (10)Polarizability: 15.28×10-24cm3; (11)Surface Tension: 39.1 dyne/cm; (12)Density: 1.046 g/cm3; (13)Flash Point: 98.9 °C; (14)Enthalpy of Vaporization: 46.74 kJ/mol; (15)Boiling Point: 230.8 °C at 760 mmHg; (16)Vapour Pressure: 0.0647 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(Cc1cccnc1)C
(2)InChI: InChI=1/C8H9NO/c1-7(10)5-8-3-2-4-9-6-8/h2-4,6H,5H2,1H3
(3)InChIKey: WPDJRDYNRNXPBX-UHFFFAOYAB