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16208-14-3

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Basic Information
CAS No.: 16208-14-3
Name: 4-METHYLPHENYLGLYOXAL HYDRATE
Article Data: 25
Molecular Structure:
Molecular Structure of 16208-14-3 (4-METHYLPHENYLGLYOXAL HYDRATE)
Formula: C9H8O2
Molecular Weight: 166.177
Synonyms: 4-Methylphenylglyoxal hydrate;2,2-dihydroxy-1-(4-methylphenyl)ethanone;
Density: 1.101 g/cm3
Boiling Point: 235.3 °C at 760 mmHg
Flash Point: 87.3 °C
Hazard Symbols: IrritantXi
Risk Codes: 36/37/38
Safety: 26-36/37/39
PSA: 43.37000
LogP: 1.31230
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Specification

The 2-(4-Methylphenyl)-2-oxo-acetaldehyde is an organic compound with the formula C9H8O2. The IUPAC name of this chemical is 2-(4-Methylphenyl)-2-oxoacetaldehyde. With the CAS registry number 16208-14-3, it is also named as (4-Methylphenyl)(oxo)acetaldehyde. Besides, its molecular weight is 148.1586.

Physical properties about 2-(4-Methylphenyl)-2-oxo-acetaldehyde are: (1)ACD/LogP: 1.41; (2)ACD/LogD (pH 5.5): 1.41; (3)ACD/LogD (pH 7.4): 1.41; (4)ACD/BCF (pH 5.5): 6.94; (5)ACD/BCF (pH 7.4): 6.94; (6)ACD/KOC (pH 5.5): 139.26; (7)ACD/KOC (pH 7.4): 139.26; (8)#H bond acceptors: 2; (9)#Freely Rotating Bonds: 2; (10)Polar Surface Area: 34.14 Å2; (11)Index of Refraction: 1.525; (12)Molar Refractivity: 41.29 cm3; (13)Molar Volume: 134.5 cm3; (14)Polarizability: 16.36×10-24 cm3; (15)Surface Tension: 40.2 dyne/cm; (16)Density: 1.101 g/cm3; (17)Flash Point: 87.3 °C; (18)Enthalpy of Vaporization: 47.21 kJ/mol; (19)Boiling Point: 235.3 °C at 760 mmHg; (20)Vapour Pressure: 0.0503 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1)InChI: InChI=1/C9H8O2/c1-7-2-4-8(5-3-7)9(11)6-10/h2-6H,1H3
(2)InChIKey: NGKHHEDLAUNMFD-UHFFFAOYAJ
(3)Std. InChI: InChI=1S/C9H8O2/c1-7-2-4-8(5-3-7)9(11)6-10/h2-6H,1H3
(4)Std. InChIKey: NGKHHEDLAUNMFD-UHFFFAOYSA-N