5-Hydroxyisoindolin-1-one supplier

Name
1H-Isoindol-1-one, 2,3-dihydro-5-hydroxy- (9CI)
EINECS
CAS No. 252061-66-8
Density 1.362 g/cm³
Solubility
Melting Point
Formula C₈H₇NO₂
Boiling Point 519.357 °C at 760 mmHg
Molecular Weight 149.149
Flash Point 267.897 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 5-Hydroxy-2,3-dihydroisoindol-1-one;1H-Isoindol-1-one,2,3-dihydro-5-hydroxy-;
PSA 49.33000
LogP 0.96440

5-Hydroxyisoindolin-1-one Specification

5-Hydroxyisoindolin-1-one, with the CAS registry number 252061-66-8, is also named as 5-Hydroxy-2,3-dihydroisoindol-1-one. It belongs to the product category of Alcohol. This chemical's molecular formula is C₈H₇NO₂ and molecular weight is 149.15. What's more, its systematic name is 5-Hydroxy-1-isoindolinone.

Physical properties of 5-Hydroxyisoindolin-1-one are: (1)ACD/LogP: -0.446; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.45; (4)ACD/LogD (pH 7.4): -0.50; (5)ACD/BCF (pH 5.5): 1.00; (6)ACD/BCF (pH 7.4): 1.00; (7)ACD/KOC (pH 5.5): 13.60; (8)ACD/KOC (pH 7.4): 12.17; (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^-24cm³; (17)Surface Tension: 57.2 dyne/cm; (18)Density: 1.362 g/cm³; (19)Flash Point: 267.897 °C; (20)Enthalpy of Vaporization: 82.196 kJ/mol; (21)Boiling Point: 519.357 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Oc1ccc2C(=O)NCc2c1
(2)Std. InChI: InChI=1S/C8H7NO2/c10-6-1-2-7-5(3-6)4-9-8(7)11/h1-3,10H,4H2,(H,9,11)
(3)Std. InChIKey: NLNNRNIJRFYGFB-UHFFFAOYSA-N

Product Name

1H-Isoindol-1-one, 2,3-dihydro-5-hydroxy- (9CI)

5-Hydroxyisoindolin-1-one Specification

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