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CAS No.: | 63440-60-8 |
---|---|
Name: | 2-oxo-2-o-tolylacetaldehyde hydrate |
Article Data: | 1 |
Molecular Structure: | |
Formula: | C9H8O2 |
Molecular Weight: | 148.161 |
Synonyms: | 2-Methylphenylglyoxal;NSC 127968; |
Density: | 1.101 g/cm3 |
Boiling Point: | 233.4 °C at 760 mmHg |
Flash Point: | 86.4 °C |
PSA: | 34.14000 |
LogP: | 1.37660 |
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The Benzeneacetaldehyde,2-methyl-a-oxo-, with the CAS registry number 63440-60-8, has the systematic name of (2-methylphenyl)(oxo)acetaldehyde. It is a kind of organics, and should be stored in the dry and cool environment. And the molecular formula of this chemical is C9H8O2.
The physical properties of Benzeneacetaldehyde,2-methyl-a-oxo- are as following: (1)ACD/LogP: 1.41; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 2; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 2; (6)Polar Surface Area: 34.14 Å2; (7)Index of Refraction: 1.525; (8)Molar Refractivity: 41.29 cm3; (9)Molar Volume: 134.5 cm3; (10)Polarizability: 16.36×10-24cm3; (11)Surface Tension: 40.2 dyne/cm; (12)Density: 1.101 g/cm3; (13)Flash Point: 86.4 °C; (14)Enthalpy of Vaporization: 47.01 kJ/mol; (15)Boiling Point: 233.4 °C at 760 mmHg; (16)Vapour Pressure: 0.0559 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(c1ccccc1C)C=O
(2)InChI: InChI=1/C9H8O2/c1-7-4-2-3-5-8(7)9(11)6-10/h2-6H,1H3
(3)InChIKey: ILRFLXHICGHRIN-UHFFFAOYAG