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245728-73-8

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Basic Information
CAS No.: 245728-73-8
Name: 2-[(1R)-3-HYDROXY-1-METHYLPROPYL]-1H-ISOINDOLE-1,3(2H)-DIONE
Article Data: 3
Molecular Structure:
Molecular Structure of 245728-73-8 (2-[(1R)-3-HYDROXY-1-METHYLPROPYL]-1H-ISOINDOLE-1,3(2H)-DIONE)
Formula: C12H13NO3
Molecular Weight: 219.24
Synonyms: 2-[(1R)-3-HYDROXY-1-METHYLPROPYL]-1H-ISOINDOLE-1,3(2H)-DIONE
Density: 1.3 g/cm3
Boiling Point: 378.215 °C at 760 mmHg
Flash Point: 182.538 °C
PSA: 57.61000
LogP: 0.99140
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Specification

The 1H-Isoindole-1,3(2H)-dione,2-[(1R)-3-hydroxy-1-methylpropyl]- is an organic compound with the formula C12H13NO3. With the CAS registry number 245728-73-8, the systematic name of this chemical is 2-[(1R)-3-hydroxy-1-methylpropyl]-1H-isoindole-1,3(2H)-dione.

Physical properties about 1H-Isoindole-1,3(2H)-dione,2-[(1R)-3-hydroxy-1-methylpropyl]- are: (1)ACD/LogP: 1.01; (2)ACD/LogD (pH 5.5): 1; (3)ACD/LogD (pH 7.4): 1; (4)ACD/BCF (pH 5.5): 8; (5)ACD/BCF (pH 7.4): 8; (6)ACD/KOC (pH 5.5): 155; (7)ACD/KOC (pH 7.4): 155; (8)#H bond acceptors: 4; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 4; (11)Polar Surface Area: 57.61 Å2; (12)Index of Refraction: 1.599; (13)Molar Refractivity: 57.675 cm3; (14)Molar Volume: 168.705 cm3; (15)Polarizability: 22.864×10-24cm3; (16)Surface Tension: 57.408 dyne/cm; (17)Density: 1.3 g/cm3; (18)Flash Point: 182.538 °C; (19)Enthalpy of Vaporization: 66.044 kJ/mol; (20)Boiling Point: 378.215 °C at 760 mmHg.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C2c1ccccc1C(=O)N2[C@H](C)CCO
(2)InChI: InChI=1/C12H13NO3/c1-8(6-7-14)13-11(15)9-4-2-3-5-10(9)12(13)16/h2-5,8,14H,6-7H2,1H3/t8-/m1/s1
(3)InChIKey: RJAMSKDRWYAMGF-MRVPVSSYBJ
(4)Std. InChI: InChI=1S/C12H13NO3/c1-8(6-7-14)13-11(15)9-4-2-3-5-10(9)12(13)16/h2-5,8,14H,6-7H2,1H3/t8-/m1/s1
(5)Std. InChIKey: RJAMSKDRWYAMGF-MRVPVSSYSA-N