5,8-Dihydro-7(6H)-isoquinolinone supplier

Name
7(6H)-Isoquinolinone,5,8-dihydro-(9CI)
EINECS
CAS No. 228271-52-1
Article Data1
CAS DataBase
Density 1.168 g/cm³
Solubility
Melting Point
Formula C₉H₉NO
Boiling Point 284.6 °C at 760 mmHg
Molecular Weight 147.177
Flash Point 133.5 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 7(6H)-Isoquinolinone,5,8-dihydro-(9CI);7(6H)-isoquinoline,5,8-dihydro-;7(6H)-Isoquinolinone,5,8-dihydro-;5,8-Dihydro-7(6H)-isoquinolinone;5,8-Dihydro-6H-isoquinolin-7-one
PSA 29.96000
LogP 1.13940

5,8-Dihydro-7(6H)-isoquinolinone Specification

This chemical is called 5,8-Dihydro-7(6H)-isoquinolinone, and it can also be named as 7(6H)-isoquinolinone, 5,8-dihydro-. With the molecular formula of C₉H₉NO, its molecular weight is 147.17. The CAS registry number of this chemical is 228271-52-1, and its product categories are Pyridine; Isoquinoline Derivertives.

Other characteristics of the 5,8-Dihydro-7(6H)-isoquinolinone can be summarised as followings: (1)ACD/LogP: 0.23; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.07; (4)ACD/LogD (pH 7.4): 0.23; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 21.81; (8)ACD/KOC (pH 7.4): 31.75; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 29.96 Å²; (13)Index of Refraction: 1.568; (14)Molar Refractivity: 41.26 cm³; (15)Molar Volume: 125.9 cm³; (16)Polarizability: 16.35×10^-24cm³; (17)Surface Tension: 48.9 dyne/cm; (18)Density: 1.168 g/cm³; (19)Flash Point: 133.5 °C; (20)Enthalpy of Vaporization: 52.36 kJ/mol; (21)Boiling Point: 284.6 °C at 760 mmHg; (22)Vapour Pressure: 0.00294 mmHg at 25°C.

You can still convert the following datas into molecular structure:
1.SMILES: O=C1CCc2ccncc2C1
2.InChI: InChI=1/C9H9NO/c11-9-2-1-7-3-4-10-6-8(7)5-9/h3-4,6H,1-2,5H2
3.InChIKey: DYHRRVJSLMPSNY-UHFFFAOYAS

Product Name

7(6H)-Isoquinolinone,5,8-dihydro-(9CI)

5,8-Dihydro-7(6H)-isoquinolinone Specification

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