CAS No.172900-75-3,Benzaldehyde, 4-methoxy-3-(3-methoxypropoxy)- Suppliers

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Basic Information

Molecular Structure:
CAS No.:	172900-75-3
Name:	Benzaldehyde, 4-methoxy-3-(3-methoxypropoxy)-
Article Data:	14

Formula:	C₁₂H₁₆O₄
Molecular Weight:	224.257
Synonyms:	4-Methoxy-3-(3-methoxypropoxy)benzaldehyde;4-methoxy-3-(3-methoxypropoxy)benzaldehyde;
Density:	1.093 g/cm³
Boiling Point:	341.9 °C at 760 mmHg
Flash Point:	150.2 °C
PSA:	44.76000
LogP:	1.92300

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Specification

The Benzaldehyde, 4-methoxy-3-(3-methoxypropoxy)-, with the CAS registry number 172900-75-3, has the systematic name of 4-methoxy-3-(3-methoxypropoxy)benzaldehyde. It belongs to the product category of Drug Intermediates. And the molecular formula of the chemical is C₁₂H₁₆O₄.

The characteristics of Benzaldehyde, 4-methoxy-3-(3-methoxypropoxy)- are as followings: (1)ACD/LogP: 1.65; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.65; (4)ACD/LogD (pH 7.4): 1.65; (5)ACD/BCF (pH 5.5): 10.48; (6)ACD/BCF (pH 7.4): 10.48; (7)ACD/KOC (pH 5.5): 187.08; (8)ACD/KOC (pH 7.4): 187.08; (9)#H bond acceptors: 4; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 7; (12)Polar Surface Area: 44.76 Å²; (13)Index of Refraction: 1.516; (14)Molar Refractivity: 62 cm³; (15)Molar Volume: 204.9 cm³; (16)Polarizability: 24.58×10^-24cm³; (17)Surface Tension: 36.7 dyne/cm; (18)Density: 1.093 g/cm³; (19)Flash Point: 150.2 °C; (20)Enthalpy of Vaporization: 58.56 kJ/mol; (21)Boiling Point: 341.9 °C at 760 mmHg; (22)Vapour Pressure: 7.8E-05 mmHg at 25°C.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: O=Cc1cc(OCCCOC)c(OC)cc1
(2)InChI: InChI=1/C12H16O4/c1-14-6-3-7-16-12-8-10(9-13)4-5-11(12)15-2/h4-5,8-9H,3,6-7H2,1-2H3
(3)InChIKey: RBSXHAWCVPPVNP-UHFFFAOYAP