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118924-03-1

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Basic Information
CAS No.: 118924-03-1
Name: ISOINDOLIN-4-OL HYDROCHLORIDE
Molecular Structure:
Molecular Structure of 118924-03-1 (ISOINDOLIN-4-OL HYDROCHLORIDE)
Formula: C8H10ClNO
Molecular Weight: 135.07
Synonyms: 2,3-Dihydro-1H-isoindol-4-ol;
Density: 1.196 g/cm3
Boiling Point: 265.923 °C at 760 mmHg
Flash Point: 147.251 °C
PSA: 32.26000
LogP: 1.32420
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Specification

4-Isoindolinol is an organic compound with the formula C8H10ClNO, and its systematic name is the same with the product name. With the CAS registry number 118924-03-1, it is also named as 2,3-Dihydro-1H-isoindol-4-ol. In addition, the molecular weight is 135.07.

Physical properties of 4-Isoindolinol are: (1)ACD/LogP: 0.27; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -2.62; (4)ACD/LogD (pH 7.4): -1.15; (5)ACD/BCF (pH 5.5): 1.00; (6)ACD/BCF (pH 7.4): 1.00; (7)ACD/KOC (pH 5.5): 1.00; (8)ACD/KOC (pH 7.4): 1.28; (9)#H bond acceptors: 2; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 32.26 Å2; (13)Index of Refraction: 1.607; (14)Molar Refractivity: 39.045 cm3; (15)Molar Volume: 112.987 cm3; (16)Polarizability: 15.479×10-24cm3; (17)Surface Tension: 50.56 dyne/cm; (18)Density: 1.196 g/cm3; (19)Flash Point: 147.251 °C; (20)Enthalpy of Vaporization: 52.419 kJ/mol; (21)Boiling Point: 265.923 °C at 760 mmHg; (22)Vapour Pressure: 0.005 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Oc2cccc1CNCc12
(2)Std. InChI: InChI=1S/C8H9NO/c10-8-3-1-2-6-4-9-5-7(6)8/h1-3,9-10H,4-5H2
(3)Std. InChIKey: ZSRQKHWUGHTSHQ-UHFFFAOYSA-N