Name: 7-hydroxyisoquinolin-1(2H)-one
SKU: 59647-24-4

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Basic Information

Molecular Structure:
CAS No.:	59647-24-4
Name:	7-hydroxyisoquinolin-1(2H)-one

Formula:	C₉H₇NO₂
Molecular Weight:	161.16
Synonyms:	7-Hydroxyisoquinolin-1(2H)-one;7-Hydroxy-2-hydroisoquinolin-1-one;
Density:	1.337 g/cm³
Boiling Point:	491.074 °C at 760 mmHg
Flash Point:	250.793 °C
PSA:	53.35000
LogP:	1.64600

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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^-24cm³; (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