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2-Pyridinecarboxaldehyde,6-acetyl-

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Name

2-Pyridinecarboxaldehyde,6-acetyl-

EINECS N/A
CAS No. 20857-21-0 Density 1.185 g/cm3
PSA 47.03000 LogP 1.09670
Solubility N/A Melting Point N/A
Formula C8H7NO2 Boiling Point 264.5 °C at 760 mmHg
Molecular Weight 149.149 Flash Point 117.7 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 20857-21-0 (2-Pyridinecarboxaldehyde, 6-acetyl- (9CI)) Hazard Symbols N/A
Synonyms

Picolinaldehyde,6-acetyl- (8CI);

Article Data 4

2-Pyridinecarboxaldehyde,6-acetyl- Specification

The 2-Pyridinecarboxaldehyde,6-acetyl-, with the CAS registry number 20857-21-0, is also known as 2-Acetyl-6-formylpyridine. It belongs to the product categories of Aldehyde; Acetylgroup. This chemical's molecular formula is C8H7NO2 and molecular weight is 149.14668. What's more, its systematic name is called 6-Acetylpyridine-2-carbaldehyde.

Physical properties about 2-Pyridinecarboxaldehyde,6-acetyl- are: (1) ACD/LogP: 0.86; (2) # of Rule of 5 Violations: 0; (3) ACD/LogD (pH 5.5): 0.86; (4) ACD/LogD (pH 7.4): 0.86; (5) ACD/BCF (pH 5.5): 2.66; (6) ACD/BCF (pH 7.4): 2.66; (7) ACD/KOC (pH 5.5): 70.05; (8) ACD/KOC (pH 7.4): 70.05; (9)#H bond acceptors: 3; (10) #H bond donors: 0; (11) #Freely Rotating Bonds: 2; (12) Polar Surface Area: 47.03 Å2; (13) Index of Refraction: 1.567; (14) Molar Refractivity: 41.12 cm3; (15) Molar Volume: 125.8 cm3; (16) Surface Tension: 48.2 dyne/cm; (17) Density: 1.185 g/cm3; (18) Flash Point: 117.7 °C; (19) Enthalpy of Vaporization: 50.24 kJ/mol; (20) Boiling Point: 264.5 °C at 760 mmHg; (21) Vapour Pressure: 0.00968 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C(C)c1cccc(C=O)n1
(2) InChI: InChI=1/C8H7NO2/c1-6(11)8-4-2-3-7(5-10)9-8/h2-5H,1H3
(3) InChIKey: VBDAIIKYGFAYGD-UHFFFAOYAU

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