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1(2H)-Isoquinolinone, 7-hydroxy-

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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 Molecular Structure of 59647-24-4 (7-hydroxyisoquinolin-1(2H)-one) Hazard Symbols N/A
Synonyms

7-Hydroxyisoquinolin-1(2H)-one;7-Hydroxy-2-hydroisoquinolin-1-one;

 

1(2H)-Isoquinolinone, 7-hydroxy- Specification

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

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