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946670-72-0

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Basic Information
CAS No.: 946670-72-0
Name: 3-methoxy-4-(3-methoxypropoxy)benzaldehyde
Molecular Structure:
Molecular Structure of 946670-72-0 (3-methoxy-4-(3-methoxypropoxy)benzaldehyde)
Formula: C12H16O4
Molecular Weight: 224.25304
Synonyms: 3-methoxy-4-(3-methoxypropoxy)benzaldehyde;
Density: 1.094 g/cm3
Boiling Point: 341.9 °C at 760 mmHg
Flash Point: 150.213 °C
PSA: 44.76000
LogP: 1.92300
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Specification

The Benzaldehyde,3-methoxy-4-(3-methoxypropoxy)- is an organic compound with the formula C12H16O4. With the CAS registry number 946670-72-0, the systematic name of this chemical is 3-methoxy-4-(3-methoxypropoxy)benzaldehyde.

Physical properties about Benzaldehyde,3-methoxy-4-(3-methoxypropoxy)- are: (1)ACD/LogP: 1.48; (2)ACD/LogD (pH 5.5): 1.483; (3)ACD/LogD (pH 7.4): 1.483; (4)ACD/BCF (pH 5.5): 7.891; (5)ACD/BCF (pH 7.4): 7.891; (6)ACD/KOC (pH 5.5): 152.683; (7)ACD/KOC (pH 7.4): 152.683; (8)#H bond acceptors: 4; (9)#Freely Rotating Bonds: 7; (10)Polar Surface Area: 44.76 Å2; (11)Index of Refraction: 1.517; (12)Molar Refractivity: 62.007 cm3; (13)Molar Volume: 204.987 cm3; (14)Polarizability: 24.581×10-24cm3; (15)Surface Tension: 36.746 dyne/cm; (16)Density: 1.094 g/cm3; (17)Flash Point: 150.213 °C; (18)Enthalpy of Vaporization: 58.56 kJ/mol; (19)Boiling Point: 341.9 °C at 760 mmHg.

You can still convert the following datas into molecular structure:
(1)SMILES: COCCCOc1ccc(cc1OC)C=O
(2)InChI: InChI=1/C12H16O4/c1-14-6-3-7-16-11-5-4-10(9-13)8-12(11)15-2/h4-5,8-9H,3,6-7H2,1-2H3
(3)InChIKey: QNQKDTJQKHRCEJ-UHFFFAOYAI
(4)Std. InChI: InChI=1S/C12H16O4/c1-14-6-3-7-16-11-5-4-10(9-13)8-12(11)15-2/h4-5,8-9H,3,6-7H2,1-2H3
(5)Std. InChIKey: QNQKDTJQKHRCEJ-UHFFFAOYSA-N