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361344-43-6

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Basic Information
CAS No.: 361344-43-6
Name: 4-MORPHOLINOPHENYLGLYOXAL
Molecular Structure:
Molecular Structure of 361344-43-6 (4-MORPHOLINOPHENYLGLYOXAL)
Formula: C12H13NO3
Molecular Weight: 219.2365
Synonyms: [4-(morpholin-4-yl)phenyl](oxo)acetaldehyde;4-Morpholinophenylglyoxal;
Density: 1.207 g/cm3
Boiling Point: 386.532 °C at 760 mmHg
Flash Point: 187.568 °C
PSA: 46.61000
LogP: 0.96980
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Specification

The Benzeneacetaldehyde,4-(4-morpholinyl)-a-oxo-, with the CAS registry number 361344-43-6, has the systematic name of [4-(morpholin-4-yl)phenyl](oxo)acetaldehyde. It belongs to the product category of Pharmacetical. And the molecular formula of this chemical is C12H13NO3.

The physical properties of Benzeneacetaldehyde,4-(4-morpholinyl)-a-oxo- are as following: (1)ACD/LogP: 0.84; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0; (4)ACD/LogD (pH 7.4): 0; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 27; (8)ACD/KOC (pH 7.4): 27; (9)#H bond acceptors: 4; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 46.61 Å2; (13)Index of Refraction: 1.555; (14)Molar Refractivity: 58.278 cm3; (15)Molar Volume: 181.593 cm3; (16)Polarizability: 23.103×10-24cm3; (17)Surface Tension: 46.219 dyne/cm; (18)Density: 1.207 g/cm3; (19)Flash Point: 187.568 °C; (20)Enthalpy of Vaporization: 63.548 kJ/mol; (21)Boiling Point: 386.532 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=CC(=O)c1ccc(cc1)N2CCOCC2
(2)InChI: InChI=1/C12H13NO3/c14-9-12(15)10-1-3-11(4-2-10)13-5-7-16-8-6-13/h1-4,9H,5-8H2
(3)InChIKey: YYRFNKUMQLISOP-UHFFFAOYAG