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57234-28-3

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Basic Information
CAS No.: 57234-28-3
Name: 1-Methoxy-3-(methoxymethoxy)benzene
Article Data: 31
Molecular Structure:
Molecular Structure of 57234-28-3 (1-Methoxy-3-(methoxymethoxy)benzene)
Formula: C9H12O3
Molecular Weight: 168.192
Synonyms: Benzene, 1-methoxy-3-(methoxymethoxy)-;
Density: 1.049 g/cm3
Boiling Point: 247.533 °C at 760 mmHg
Flash Point: 80.994 °C
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Specification

1-Methoxy-3-(methoxymethoxy)benzene is an organic compound with the formula C9H12O3, and its systematic name is the same with the product name. With the CAS registry number 57234-28-3, it is also named as Benzene, 1-methoxy-3-(methoxymethoxy)-. In addition, the molecular weight is 168.19.

Physical properties of 1-Methoxy-3-(methoxymethoxy)benzene are: (1)ACD/LogP: 1.331; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.33; (4)ACD/LogD (pH 7.4): 1.33; (5)ACD/BCF (pH 5.5): 6.05; (6)ACD/BCF (pH 7.4): 6.05; (7)ACD/KOC (pH 5.5): 126.21; (8)ACD/KOC (pH 7.4): 126.21; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 27.69 Å2; (13)Index of Refraction: 1.486; (14)Molar Refractivity: 45.988 cm3; (15)Molar Volume: 160.307 cm3; (16)Polarizability: 18.231×10-24cm3; (17)Surface Tension: 31.59 dyne/cm; (18)Density: 1.049 g/cm3; (19)Flash Point: 80.994 °C; (20)Enthalpy of Vaporization: 46.507 kJ/mol; (21)Boiling Point: 247.533 °C at 760 mmHg; (22)Vapour Pressure: 0.04 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O(COc1cccc(OC)c1)C
(2)Std. InChI: InChI=1S/C9H12O3/c1-10-7-12-9-5-3-4-8(6-9)11-2/h3-6H,7H2,1-2H3
(3)Std. InChIKey: APNUEDCZMXPTFS-UHFFFAOYSA-N