Name: 1H-Isoindol-1-one, 2,3-dihydro-6-hydroxy- (9CI)
SKU: 659737-57-2

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Basic Information

Molecular Structure:
CAS No.:	659737-57-2
Name:	1H-Isoindol-1-one, 2,3-dihydro-6-hydroxy- (9CI)
Article Data:	6

Formula:	C₈H₇NO₂
Molecular Weight:	149.149
Synonyms:	1H-Isoindol-1-one, 2,3-dihydro-6-hydroxy- (9CI);
Density:	1.362 g/cm³
Boiling Point:	507.336 °C at 760 mmHg
Flash Point:	260.628 °C
PSA:	52.82000
LogP:	0.64600

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Specification

The 6-Hydroxyisoindolin-1-one, with the CAS registry number 659737-57-2, is also known as 1H-Isoindol-1-one, 2, 3-dihydro-6-hydroxy- (9CI). It belongs to the product category of Alcohol. This chemical's molecular formula is C₈H₇NO₂ and molecular weight is 149.14668. What's more, its systematic name is 6-Hydroxy-2, 3-dihydro-1H-isoindol-1-one.

Physical properties about 6-Hydroxyisoindolin-1-one are: (1)ACD/LogP: 0.17; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0; (4)ACD/LogD (pH 7.4): 0; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 14; (8)ACD/KOC (pH 7.4): 13; (9)#H bond acceptors: 3; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 49.33 Å²; (13)Index of Refraction: 1.634; (14)Molar Refractivity: 39.176 cm³; (15)Molar Volume: 109.485 cm³; (16)Polarizability: 15.53×10^-24 cm³; (17)Surface Tension: 57.199 dyne/cm; (18)Density: 1.362 g/cm³; (19)Flash Point: 260.628 °C; (20)Enthalpy of Vaporization: 80.683 kJ/mol; (21)Boiling Point: 507.336 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C2c1cc(O)ccc1CN2
(2) InChI: InChI=1/C8H7NO2/c10-6-2-1-5-4-9-8(11)7(5)3-6/h1-3,10H,4H2,(H,9,11)
(3) InChIKey: YGEDYDDFFVHFEA-UHFFFAOYAD