CAS No.37398-49-5,2-ACETYL-ISONICOTINONITRILE Suppliers

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Basic Information

Molecular Structure:
CAS No.:	37398-49-5
Name:	2-ACETYL-ISONICOTINONITRILE

Formula:	C₈H₆N₂O
Molecular Weight:	146.148
Synonyms:	4-Pyridinecarbonitrile, 2-acetyl-;
Density:	1.19 g/cm³
Boiling Point:	263.538 °C at 760 mmHg
Flash Point:	113.184 °C
PSA:	53.75000
LogP:	1.15588

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Specification

The 2-Acetyl-4-cyanopyridine, with the CAS registry number 37398-49-5, is also known as 4-Pyridinecarbonitrile, 2-acetyl-. It belongs to the product categories of Acetylgroup; Pyridines. This chemical's molecular formula is C₈H₆N₂O and molecular weight is 146.14604. What's more, its IUPAC name is 2-Acetylpyridine-4-carbonitrile.

Physical properties about 2-Acetyl-4-cyanopyridine are: (1)ACD/LogP: 0.79; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1; (4)ACD/LogD (pH 7.4): 1; (5)ACD/BCF (pH 5.5): 2; (6)ACD/BCF (pH 7.4): 2; (7)ACD/KOC (pH 5.5): 51; (8)ACD/KOC (pH 7.4): 51; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 53.75 Å²; (13)Index of Refraction: 1.539; (14)Molar Refractivity: 38.489 cm³; (15)Molar Volume: 122.769 cm³; (16)Polarizability: 15.258×10^-24 cm³; (17)Surface Tension: 53.539 dyne/cm; (18)Density: 1.19 g/cm³; (19)Flash Point: 113.184 °C; (20)Enthalpy of Vaporization: 50.137 kJ/mol; (21)Boiling Point: 263.538 °C at 760 mmHg; (22)Vapour Pressure: 0.01 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: CC(=O)c1cc(ccn1)C#N
(2) InChI: InChI=1/C8H6N2O/c1-6(11)8-4-7(5-9)2-3-10-8/h2-4H,1H3
(3) InChIKey: WISLYNBDMYWHNF-UHFFFAOYAO