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Basic Information
CAS No.: 252061-78-2
Name: 6-Hydroxyisoquinolin-1(2H)-one
Molecular Structure:
Molecular Structure of 252061-78-2 (6-Hydroxyisoquinolin-1(2H)-one)
Formula: C9H7NO2
Molecular Weight: 161.16
Synonyms: 6-Hydroxy-2-hydroisoquinolin-1-one;
Density: 1.337 g/cm3
Boiling Point: 506.069 °C at 760 mmHg
Flash Point: 259.861 °C
PSA: 53.09000
LogP: 1.23370
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Specification

With the CAS registry number 252061-78-2, this chemical's systematic name is 6-Hydroxyisoquinolin-1(2H)-one. Besides, its molecular formula is C9H7NO2 and molecular weight is 161.16. What's more, it is also known as 6-Hydroxy-2-hydroisoquinolin-1-one.

Physical properties of 6-Hydroxyisoquinolin-1(2H)-one are: (1)ACD/LogP: 1.14; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1; (4)ACD/LogD (pH 7.4): 1; (5)ACD/BCF (pH 5.5): 2; (6)ACD/BCF (pH 7.4): 2; (7)ACD/KOC (pH 5.5): 64; (8)ACD/KOC (pH 7.4): 49; (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: 259.861 °C; (20)Enthalpy of Vaporization: 80.524 kJ/mol; (21)Boiling Point: 506.069 °C at 760 mmHg.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C1c2ccc(O)cc2\C=C/N1
(2)InChI: InChI=1S/C9H7NO2/c11-7-1-2-8-6(5-7)3-4-10-9(8)12/h1-5,11H,(H,10,12)
(3)InChIKey: GCJZYOIXXVVQKC-UHFFFAOYSA-N