Name: 4-(3-methoxypropoxy)benzaldehyde
SKU: 42580-35-8

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Basic Information

Molecular Structure:
CAS No.:	42580-35-8
Name:	4-(3-methoxypropoxy)benzaldehyde
Article Data:	1

Formula:	C₁₁H₁₄O₃
Molecular Weight:	194.23
Synonyms:	p-(3-Methoxypropoxy)benzaldehyde;
Density:	1.073 g/cm³
Boiling Point:	311.2 °C at 760 mmHg
Flash Point:	132.9 °C
PSA:	35.53000
LogP:	1.91440

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Specification

The Benzaldehyde, 4-(3-methoxypropoxy)-, with the CAS registry number of 42580-35-8, is also known as p-(3-Methoxypropoxy)benzaldehyde. This chemical's molecular formula is C₁₁H₁₄O₃ and molecular weight is 194.2271. What's more, its systematic name is called 4-(3-Methoxypropoxy)benzaldehyde.

Physical properties about Benzaldehyde, 4-(3-methoxypropoxy)- are: (1)ACD/LogP: 1.73; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.73; (4)ACD/LogD (pH 7.4): 1.73; (5)ACD/BCF (pH 5.5): 12.23; (6)ACD/BCF (pH 7.4): 12.23; (7)ACD/KOC (pH 5.5): 208.9; (8)ACD/KOC (pH 7.4): 208.9; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 6; (12)Polar Surface Area: 35.53 Å²; (13)Index of Refraction: 1.523; (14)Molar Refractivity: 55.32 cm³; (15)Molar Volume: 180.9 cm³; (16)Surface Tension: 37.5 dyne/cm; (17)Density: 1.073 g/cm³; (18)Flash Point: 132.9 °C; (19)Enthalpy of Vaporization: 55.21 kJ/mol; (20)Boiling Point: 311.2 °C at 760 mmHg; (21)Vapour Pressure: 0.000573 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: O=Cc1ccc(OCCCOC)cc1
(2) InChI: InChI=1/C11H14O3/c1-13-7-2-8-14-11-5-3-10(9-12)4-6-11/h3-6,9H,2,7-8H2,1H3
(3) InChIKey: UAAGRUIKVGFWOZ-UHFFFAOYAR