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66855-92-3

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Basic Information
CAS No.: 66855-92-3
Name: 3-(2-Methoxy-phenoxy)-benzaldehyde
Article Data: 5
Molecular Structure:
Molecular Structure of 66855-92-3 (3-(2-Methoxy-phenoxy)-benzaldehyde)
Formula: C14H12O3
Molecular Weight: 228.247
Synonyms: Benzaldehyde, 3-(2-methoxyphenoxy)-;3-(2-Methoxyphenoxy)benzaldehyde;
Density: 1.166 g/cm3
Boiling Point: 367.728 °C at 760 mmHg
Flash Point: 167.562 °C
PSA: 35.53000
LogP: 3.30000
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Specification

The 3-(2-Methoxy-phenoxy)-benzaldehyde with CAS registry number of 66855-92-3 is also known as Benzaldehyde, 3-(2-methoxyphenoxy)-. The systematic name is 3-(2-Methoxyphenoxy)benzaldehyde. In addition, the formula is C14H12O3 and the molecular weight is 228.24.

Physical properties about 3-(2-Methoxy-phenoxy)-benzaldehyde are: (1)ACD/LogP: 2.74; (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): 23; (6)ACD/BCF (pH 7.4): 23; (7)ACD/KOC (pH 5.5): 327; (8)ACD/KOC (pH 7.4): 327; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 35.53Å2; (13)Index of Refraction: 1.591; (14)Molar Refractivity: 66.128 cm3; (15)Molar Volume: 195.689 cm3; (16)Polarizability: 26.215×10-24cm3; (17)Surface Tension: 42.663 dyne/cm; (18)Density: 1.166 g/cm3; (19)Flash Point: 167.562 °C; (20)Enthalpy of Vaporization: 61.43 kJ/mol; (21)Boiling Point: 367.728 °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=Cc2cc(Oc1ccccc1OC)ccc2
2. InChI: InChI=1/C14H12O3/c1-16-13-7-2-3-8-14(13)17-12-6-4-5-11(9-12)10-15/h2-10H,1H3
3. InChIKey: YGNWPJYYSGTPFP-UHFFFAOYAI
4. Std. InChI: InChI=1S/C14H12O3/c1-16-13-7-2-3-8-14(13)17-12-6-4-5-11(9-12)10-15/h2-10H,1H3
5. Std. InChIKey: YGNWPJYYSGTPFP-UHFFFAOYSA-N