6-Hydroxy-3,4-dihydro-2H-isoquinolin-1-one supplier

Name
6-HYDROXY-3,4-DIHYDRO-1(2H)-ISOQUINOLINONE
EINECS
CAS No. 22245-98-3
Article Data22
CAS DataBase
Density 1.283 g/cm³
Solubility
Melting Point
Formula C₉H₉NO₂
Boiling Point 503.151 °C at 760 mmHg
Molecular Weight 163.176
Flash Point 258.097 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Isocarbostyril,3,4-dihydro-6-hydroxy- (8CI);6-Hydroxy-3,4-dihydro-2H-isoquinolin-1-one;6-Hydroxy-3,4-dihydro-isoquinolin-1(2H)-one;1-Oxo-1,2,3,4-tetrahydroisoquinolin-6-ol;6-Hydroxy-3,4-dihydro-1(2h)-isoquinolinone;
PSA 49.33000
LogP 1.00690

6-Hydroxy-3,4-dihydro-2H-isoquinolin-1-one Specification

The CAS register number of 1(2H)-Isoquinolinone,3,4-dihydro-6-hydroxy- is 22245-98-3. It also can be called as 6-Hydroxy-3,4-dihydro-1(2h)-isoquinolinone and the systematic name about this chemical is 6-hydroxy-3,4-dihydroisoquinolin-1(2H)-one. The molecular formula about this chemical is C₉H₉NO₂ and the molecular weight is 163.06.

Physical properties about 1(2H)-Isoquinolinone,3,4-dihydro-6-hydroxy- are: (1)ACD/LogP: 0.54; (2)ACD/BCF (pH 5.5): 1; (3)ACD/BCF (pH 7.4): 1; (4)ACD/KOC (pH 5.5): 25; (5)ACD/KOC (pH 7.4): 24; (6)#H bond acceptors: 3; (7)#H bond donors: 2; (8)#Freely Rotating Bonds: 1; (9)Polar Surface Area: 49.33 Å²; (10)Index of Refraction: 1.604; (11)Molar Refractivity: 43.787 cm³; (12)Molar Volume: 127.223 cm³; (13)Polarizability: 17.359x10^-24cm³; (14)Surface Tension: 51.714 dyne/cm; (15)Density: 1.283 g/cm³; (16)Flash Point: 258.097 °C; (17)Enthalpy of Vaporization: 80.158 kJ/mol; (18)Boiling Point: 503.151 °C at 760 mmHg.

You can still convert the following datas into molecular structure:
(1)SMILES: Oc1ccc2C(=O)NCCc2c1
(2)InChI: InChI=1/C9H9NO2/c11-7-1-2-8-6(5-7)3-4-10-9(8)12/h1-2,5,11H,3-4H2,(H,10,12)
(3)InChIKey: TYNQFYSVGOMKOS-UHFFFAOYAL
(4)Std. InChI: InChI=1S/C9H9NO2/c11-7-1-2-8-6(5-7)3-4-10-9(8)12/h1-2,5,11H,3-4H2,(H,10,12)
(5)Std. InChIKey: TYNQFYSVGOMKOS-UHFFFAOYSA-N

Product Name

6-HYDROXY-3,4-DIHYDRO-1(2H)-ISOQUINOLINONE

6-Hydroxy-3,4-dihydro-2H-isoquinolin-1-one Specification

Related Products

Hot Products