CAS No.62838-65-7,2(1H)-Pyridinone, 3-acetyl- (9CI) Suppliers

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Basic Information

Molecular Structure:
CAS No.:	62838-65-7
Name:	2(1H)-Pyridinone, 3-acetyl- (9CI)
Article Data:	7

Formula:	C₇H₇NO₂
Molecular Weight:	137.138
Synonyms:	1-(2-Hydroxy-3-pyridinyl)ethanone;3-Acetyl-2(1H)-pyridinone;3-Acetyl-2-hydroxypyridine;3-Acetyl-2-pyridone;
Density:	1.218 g/cm³
Melting Point:	164 °C(Solv: ligroine (8032-32-4); ethanol (64-17-5))
Boiling Point:	328.725 °C at 760 mmHg
Flash Point:	152.608 °C
PSA:	49.93000
LogP:	0.57750

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Specification

The CAS register number of 2(1H)-Pyridinone,3-acetyl- is 62838-65-7. It also can be called as 3-Acetyl-2(1H)-pyridinone and the systematic name about this chemical is 1-(2-hydroxy-3-pyridyl)ethanone. The molecular formula about this chemical is C₇H₇NO₂ and the molecular weight is 137.13598. It belongs to the following product category which includes Acetylgroup.

Physical properties about 2(1H)-Pyridinone,3-acetyl- are: (1)ACD/LogP: 0.97; (2)ACD/LogD (pH 5.5): 0.948; (3)ACD/LogD (pH 7.4): 0.942; (4)ACD/BCF (pH 5.5): 3.065; (5)ACD/BCF (pH 7.4): 3.021; (6)ACD/KOC (pH 5.5): 76.683; (7)ACD/KOC (pH 7.4): 75.577; (8)#H bond acceptors: 3; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 1; (11)Polar Surface Area: 50.19 Å²; (12)Index of Refraction: 1.557; (13)Molar Refractivity: 36.254 cm³; (14)Molar Volume: 112.617 cm³; (15)Polarizability: 14.372x10^-24cm³; (16)Surface Tension: 51.452 dyne/cm; (17)Density: 1.218 g/cm³; (18)Flash Point: 152.608 °C; (19)Enthalpy of Vaporization: 59.382 kJ/mol; (20)Boiling Point: 328.725 °C at 760 mmHg.

You can still convert the following datas into molecular structure:
(1)SMILES: CC(=O)c1cccnc1O
(2)InChI: InChI=1/C7H7NO2/c1-5(9)6-3-2-4-8-7(6)10/h2-4H,1H3,(H,8,10)
(3)InChIKey: PYKHYSXTVOVOHV-UHFFFAOYAT
(4)Std. InChI: InChI=1S/C7H7NO2/c1-5(9)6-3-2-4-8-7(6)10/h2-4H,1H3,(H,8,10)
(5)Std. InChIKey: PYKHYSXTVOVOHV-UHFFFAOYSA-N