CAS No.13210-29-2,Ethanone, 1-(3-hydroxy-2-pyridinyl)- (9CI) Suppliers

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Basic Information

Molecular Structure:
CAS No.:	13210-29-2
Name:	Ethanone, 1-(3-hydroxy-2-pyridinyl)- (9CI)
Article Data:	13

Formula:	C₇H₇NO₂
Molecular Weight:	137.13598
Synonyms:	Ketone,3-hydroxy-2-pyridyl methyl (8CI);1-(3-Hydroxypyridin-2-yl)ethanone;2-Acetyl-3-hydroxypyridine;
Density:	1.218 g/cm³
Boiling Point:	311.545 °C at 760 mmHg
Flash Point:	142.217 °C
PSA:	50.19000
LogP:	0.98980

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Specification

The 1-(3-Hydroxypyridin-2-yl)ethanone, with the CAS registry number 13210-29-2, belongs to the product category of Acetylgroup. This chemical's molecular formula is C₇H₇NO₂ and formula weight is 137.14. What's more, its systematic name is called 1-(3-hydroxypyridin-2-yl)ethanone.

Physical properties of 1-(3-Hydroxypyridin-2-yl)ethanone: (1)ACD/LogP: 0.97; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2; (4)ACD/LogD (pH 7.4): 2; (5)ACD/BCF (pH 5.5): 14; (6)ACD/BCF (pH 7.4): 13; (7)ACD/KOC (pH 5.5): 232; (8)ACD/KOC (pH 7.4): 216; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Index of Refraction: 1.557; (13)Molar Refractivity: 36.254 cm³; (14)Molar Volume: 112.617 cm³; (15)Surface Tension: 51.452 dyne/cm; (16)Density: 1.218 g/cm³; (17)Flash Point: 142.217 °C; (18)Enthalpy of Vaporization: 57.45 kJ/mol; (19)Boiling Point: 311.545 °C at 760 mmHg; (20)Vapour Pressure: 0 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Oc1cccnc1C(=O)C
(2)InChI: InChI=1/C7H7NO2/c1-5(9)7-6(10)3-2-4-8-7/h2-4,10H,1H3
(3)InChIKey: DYFSAZGSIBFUAI-UHFFFAOYAI