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

Name
5-HYDROXY-3,4-DIHYDRO-2H-ISOQUINOLIN-1-ONE
EINECS
CAS No. 56469-02-4
Article Data5
CAS DataBase
Density 1.282 g/cm³
Solubility
Melting Point
Formula C₉H₉NO₂
Boiling Point 473.848 °C at 760 mmHg
Molecular Weight 163.176
Flash Point 240.375 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 5-Hydroxy-3,4-dihydro-2H-isoquinolin-1-one;5-Hydroxy-3,4-dihydroisocarbostyril;5-Hydroxy-3,4-dihydroisoquinolin-1(2H)-one;
PSA 49.33000
LogP 1.00690

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

The CAS register number of 1(2H)-Isoquinolinone,3,4-dihydro-5-hydroxy- is 56469-02-4. It also can be called as 3,4-dihydro-5-hydroxy-1(2H)-isoquinolinone and the IUPAC name about this chemical is 5-hydroxy-3,4-dihydro-2H-isoquinolin-1-one. The molecular formula about this chemical is C₉H₉NO₂ and the molecular weight is 163.17.

Physical properties about 1(2H)-Isoquinolinone,3,4-dihydro-5-hydroxy- are: (1)ACD/LogP: 0.70; (2)ACD/LogD (pH 5.5): 1; (3)ACD/LogD (pH 7.4): 1; (4)ACD/BCF (pH 5.5): 2; (5)ACD/BCF (pH 7.4): 2; (6)ACD/KOC (pH 5.5): 57; (7)ACD/KOC (pH 7.4): 57; (8)#H bond acceptors: 3; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 1; (11)Polar Surface Area: 49.33Å²; (12)Index of Refraction: 1.604; (13)Molar Refractivity: 43.787 cm³; (14)Molar Volume: 127.223 cm³; (15)Polarizability: 17.359x10^-24cm³; (16)Surface Tension: 51.714 dyne/cm; (17)Flash Point: 240.375 °C; (18)Enthalpy of Vaporization: 76.521 kJ/mol; (19)Boiling Point: 473.848 °C at 760 mmHg.

You can still convert the following datas into molecular structure:
(1)SMILES: c1cc2c(c(c1)O)CCNC2=O
(2)InChI: InChI=1/C9H9NO2/c11-8-3-1-2-7-6(8)4-5-10-9(7)12/h1-3,11H,4-5H2,(H,10,12)
(3)InChIKey: CMNQIVHHHBBVSC-UHFFFAOYAB
(4)Std. InChI: InChI=1S/C9H9NO2/c11-8-3-1-2-7-6(8)4-5-10-9(7)12/h1-3,11H,4-5H2,(H,10,12)
(5)Std. InChIKey: CMNQIVHHHBBVSC-UHFFFAOYSA-N

Product Name

5-HYDROXY-3,4-DIHYDRO-2H-ISOQUINOLIN-1-ONE

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

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