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Name |
6-Hydroxyisoindolin-1-one |
EINECS | N/A |
CAS No. | 659737-57-2 | Density | 1.362 g/cm3 |
PSA | 52.82000 | LogP | 0.64600 |
Solubility | N/A | Melting Point |
N/A |
Formula | C8H7NO2 | Boiling Point | 507.336 °C at 760 mmHg |
Molecular Weight | 149.149 | Flash Point | 260.628 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
1H-Isoindol-1-one, 2,3-dihydro-6-hydroxy- (9CI); |
Article Data | 6 |
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