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3-(4-Methoxyphenyl)propionaldehyde

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Name

3-(4-Methoxyphenyl)propionaldehyde

EINECS N/A
CAS No. 20401-88-1 Density 1.025 g/cm3
PSA 26.30000 LogP 1.82670
Solubility N/A Melting Point N/A
Formula C10H12O2 Boiling Point 252.727 °C at 760 mmHg
Molecular Weight 164.204 Flash Point 104.509 °C
Transport Information N/A Appearance N/A
Safety 36/37 Risk Codes 43
Molecular Structure Molecular Structure of 20401-88-1 (3-(4-METHOXY-PHENYL)-PROPIONALDEHYDE) Hazard Symbols Xi
Synonyms

Hydrocinnamaldehyde,p-methoxy- (6CI,7CI,8CI);3-(4-Methoxyphenyl)propanal;3-(4-Methoxyphenyl)propional;3-(4-Methoxyphenyl)propionaldehyde;3-(p-Methoxyphenyl)propanal;3-(p-Methoxyphenyl)propionaldehyde;4-Methoxyhydrocinnamaldehyde;b-(p-Methoxyphenyl)propionaldehyde;

Article Data 152

3-(4-Methoxyphenyl)propionaldehyde Specification

The cas register number of 3-(4-Methoxyphenyl)propionaldehyde is 20401-88-1. It also can be called as Benzenepropanal,4-methoxy- and the Systematic name about this chemical is 3-(4-methoxyphenyl)propanal. 

Physical properties about 3-(4-Methoxyphenyl)propionaldehyde are: (1)ACD/LogP: 1.67; (2)ACD/LogD (pH 5.5): 2; (3)ACD/LogD (pH 7.4): 2; (4)ACD/BCF (pH 5.5): 18; (5)ACD/BCF (pH 7.4): 18; (6)ACD/KOC (pH 5.5): 274; (7)ACD/KOC (pH 7.4): 274; (8)#H bond acceptors: 2; (9)#Freely Rotating Bonds: 4; (10)Polar Surface Area: 26.3 Å2; (11)Index of Refraction: 1.503; (12)Molar Refractivity: 47.3 cm3; (13)Molar Volume: 160.078 cm3; (14)Polarizability: 18.751x10-24cm3; (15)Surface Tension: 34.945 dyne/cm; (16)Flash Point: 104.509 °C; (17)Enthalpy of Vaporization: 49.009 kJ/mol; (18)Boiling Point: 252.727 °C at 760 mmHg; (19)Vapour Pressure: 0.019 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=CCCc1ccc(OC)cc1
(2)InChI: InChI=1/C10H12O2/c1-12-10-6-4-9(5-7-10)3-2-8-11/h4-8H,2-3H2,1H3
(3)InChIKey: ZOXCMZXXNOSBHU-UHFFFAOYAL
(4)Std. InChI: InChI=1S/C10H12O2/c1-12-10-6-4-9(5-7-10)3-2-8-11/h4-8H,2-3H2,1H3
(5)Std. InChIKey: ZOXCMZXXNOSBHU-UHFFFAOYSA-N

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