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344569-80-8

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Basic Information
CAS No.: 344569-80-8
Name: 2-[[3-(Phenylmethoxy)-2-pyridinyl]methyl]-1H-isoindole-1,3(2H)-dione
Molecular Structure:
Molecular Structure of 344569-80-8 (2-[[3-(Phenylmethoxy)-2-pyridinyl]methyl]-1H-isoindole-1,3(2H)-dione)
Formula: C21H16N2O3
Molecular Weight: 344.36
Synonyms: 1H-isoindole-1,3(2H)-dione, 2-[[3-(phenylmethoxy)-2-pyridinyl]methyl]-;
Density: 1.331 g/cm3
Boiling Point: 523.868 °C at 760 mmHg
Flash Point: 270.626 °C
PSA: 59.50000
LogP: 3.39470
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Specification

The CAS register number of 2-[[3-(Phenylmethoxy)-2-pyridinyl]methyl]-1H-isoindole-1,3(2H)-dione is 344569-80-8. It also can be called as 1H-isoindole-1,3(2H)-dione, 2-[[3-(phenylmethoxy)-2-pyridinyl]methyl]- and the IUPAC name about this chemical is 2-[(3-phenylmethoxypyridin-2-yl)methyl]isoindole-1,3-dione. The molecular formula about this chemical is C21H16N2O3 and the molecular weight is 344.36.

Physical properties about 2-[[3-(Phenylmethoxy)-2-pyridinyl]methyl]-1H-isoindole-1,3(2H)-dione are: (1)ACD/LogP: 2.19; (2)ACD/LogD (pH 5.5): 2.178; (3)ACD/LogD (pH 7.4): 2.186; (4)ACD/BCF (pH 5.5): 26.495; (5)ACD/BCF (pH 7.4): 26.977; (6)ACD/KOC (pH 5.5): 361.466; (7)ACD/KOC (pH 7.4): 368.038; (8)#H bond acceptors: 5; (9)#Freely Rotating Bonds: 5; (10)Polar Surface Area: 59.5Å2; (11)Index of Refraction: 1.665; (12)Molar Refractivity: 96.067 cm3; (13)Molar Volume: 258.811 cm3; (14)Polarizability: 38.084x10-24cm3; (15)Surface Tension: 63.66 dyne/cm; (16)Enthalpy of Vaporization: 79.763 kJ/mol; (17)Boiling Point: 523.868 °C at 760 mmHg.

You can still convert the following datas into molecular structure:
(1)SMILES: c1ccc(cc1)COc2cccnc2CN3C(=O)c4ccccc4C3=O
(2)InChI: InChI=1/C21H16N2O3/c24-20-16-9-4-5-10-17(16)21(25)23(20)13-18-19(11-6-12-22-18)26-14-15-7-2-1-3-8-15/h1-12H,13-14H2
(3)InChIKey: XGBXCTPLVIXDKU-UHFFFAOYAW
(4)Std. InChI: InChI=1S/C21H16N2O3/c24-20-16-9-4-5-10-17(16)21(25)23(20)13-18-19(11-6-12-22-18)26-14-15-7-2-1-3-8-15/h1-12H,13-14H2
(5)Std. InChIKey: XGBXCTPLVIXDKU-UHFFFAOYSA-N