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6-(Hydroxymethyl)isoquinolin-1(2H)-one

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Name

6-(Hydroxymethyl)isoquinolin-1(2H)-one

EINECS N/A
CAS No. 1150618-25-9 Density 1.289 g/cm3
PSA N/A LogP N/A
Solubility N/A Melting Point N/A
Formula C10H9NO2 Boiling Point 500.149 °C at 760 mmHg
Molecular Weight 175.184 Flash Point 256.281 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 1150618-25-9 (6-(Hydroxymethyl)isoquinolin-1(2H)-one) Hazard Symbols N/A
Synonyms

6-(Hydroxymethyl)-2-hydroisoquinolin-1-one;

 

6-(Hydroxymethyl)isoquinolin-1(2H)-one Specification

The CAS registry number of 6-(Hydroxymethyl)isoquinolin-1(2H)-one is 1150618-25-9. This chemical is also known as 6-(Hydroxymethyl)-2-hydroisoquinolin-1-one. The molecular formula of it is C10H9NO2 and molecular weight is 175.184. Its systematic name is called 6-(hydroxymethyl)-2H-isoquinolin-1-one.

Physical properties about this chemical are: (1)ACD/LogP: 1.45; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.448; (4)ACD/LogD (pH 7.4): 1.448; (5)ACD/BCF (pH 5.5): 7.42; (6)ACD/BCF (pH 7.4): 7.42; (7)ACD/KOC (pH 5.5): 146.108; (8)ACD/KOC (pH 7.4): 146.107; (9)#H bond acceptors: 3; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 2; (12)Index of Refraction: 1.624; (13)Molar Refractivity: 47.961 cm3; (14)Molar Volume: 135.903 cm3; (15)Surface Tension: 54.257 dyne/cm; (16)Density: 1.289 g/cm3; (17)Flash Point: 256.281 °C; (18)Enthalpy of Vaporization: 80.949 kJ/mol; (19)Boiling Point: 500.149 °C at 760 mmHg; (20)Vapour Pressure: 0 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: c1cc2c(cc[nH]c2=O)cc1CO
(2)InChI: InChI=1/C10H9NO2/c12-6-7-1-2-9-8(5-7)3-4-11-10(9)13/h1-5,12H,6H2,(H,11,13)
(3)InChIKey: FKFXUWDUOXXNQC-UHFFFAOYAQ

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