Basic Information | Post buying leads | Suppliers |
Name |
1(2H)-Isoquinolinone, 7-hydroxy- |
EINECS | N/A |
CAS No. | 59647-24-4 | Density | 1.337 g/cm3 |
PSA | 53.35000 | LogP | 1.64600 |
Solubility | N/A | Melting Point |
N/A |
Formula | C9H7NO2 | Boiling Point | 491.074 °C at 760 mmHg |
Molecular Weight | 161.16 | Flash Point | 250.793 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
7-Hydroxyisoquinolin-1(2H)-one;7-Hydroxy-2-hydroisoquinolin-1-one; |
The 1(2H)-Isoquinolinone, 7-hydroxy-, with the CAS registry number 59647-24-4, is also known as 7-Hydroxy-2-hydroisoquinolin-1-one. This chemical's molecular formula is C9H7NO2 and molecular weight is 161.16. What's more, its systematic name is 7-Hydroxy-2H-isoquinolin-1-one.
Physical properties of 1(2H)-Isoquinolinone, 7-hydroxy- are: (1)ACD/LogP: 2.35; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.35; (4)ACD/LogD (pH 7.4): 2.343; (5)ACD/BCF (pH 5.5): 35.97; (6)ACD/BCF (pH 7.4): 35.376; (7)ACD/KOC (pH 5.5): 452.197; (8)ACD/KOC (pH 7.4): 444.732; (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: 1.639; (14)Molar Refractivity: 43.391 cm3; (15)Molar Volume: 120.517 cm3; (16)Polarizability: 17.202×10-24 cm3; (17)Surface Tension: 55.384 dyne/cm; (18)Density: 1.337 g/cm3; (19)Flash Point: 250.793 °C; (20)Enthalpy of Vaporization: 78.652 kJ/mol; (21)Boiling Point: 491.074 °C at 760 mmHg.
You can still convert the following datas into molecular structure:
(1)SMILES: c1cc(cc2c1cc[nH]c2=O)O
(2)InChI: InChI=1S/C9H7NO2/c11-7-2-1-6-3-4-10-9(12)8(6)5-7/h1-5,11H,(H,10,12)
(3)InChIKey: JCSSLGUHFFFJRW-UHFFFAOYSA-N