CAS No.20434-92-8,2-(4-Hydroxyphenyl)-2H-isoquinolin-1-one Suppliers

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Basic Information

Molecular Structure:
CAS No.:	20434-92-8
Name:	2-(4-Hydroxyphenyl)-2H-isoquinolin-1-one
Article Data:	3

Formula:	C₁₅H₁₁NO₂
Molecular Weight:	237.258
Synonyms:	Isocarbostyril,3-(p-hydroxyphenyl)- (8CI);2-(4-Hydroxyphenyl)-2H-isoquinolin-1-one;3-(4-Hydroxyphenyl)-2H-isoquinolin-1-one;NSC 341341;
Density:	1.298 g/cm³
Boiling Point:	531.4 °C at 760 mmHg
Flash Point:	275.2 °C
PSA:	42.23000
LogP:	2.69630

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Specification

The CAS register number of 1(2H)-Isoquinolinone,3-(4-hydroxyphenyl)- is 20434-92-8. It also can be called as Isocarbostyril,3-(p-hydroxyphenyl)- (8CI) and the IUPAC name about this chemical is 3-(4-hydroxyphenyl)-2H-isoquinolin-1-one. The molecular formula about this chemical is C₁₅H₁₁NO₂ and the molecular weight is 237.08.

Physical properties about 1(2H)-Isoquinolinone,3-(4-hydroxyphenyl)- are: (1)ACD/LogP: 3.10; (2)#H bond acceptors: 3; (3)#H bond donors: 2; (4)#Freely Rotating Bonds: 2; (5)Polar Surface Area: 29.54 Å²; (6)Index of Refraction: 1.664; (7)Molar Refractivity: 67.83 cm³; (8)Molar Volume: 182.6 cm³; (9)Polarizability: 26.89x10^-24cm³; (10)Surface Tension: 55.6 dyne/cm; (11)Density: 1.298 g/cm³; (12)Flash Point: 275.2 °C; (13)Enthalpy of Vaporization: 83.72 kJ/mol; (14)Boiling Point: 531.4 °C at 760 mmHg; (15)Vapour Pressure: 6.56E-12 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C2c3ccccc3/C=C(/c1ccc(O)cc1)N2
(2)InChI: InChI=1/C15H11NO2/c17-12-7-5-10(6-8-12)14-9-11-3-1-2-4-13(11)15(18)16-14/h1-9,17H,(H,16,18)
(3)InChIKey: PAXSRTRJTOGLAV-UHFFFAOYAO
(4)Std. InChI: InChI=1S/C15H11NO2/c17-12-7-5-10(6-8-12)14-9-11-3-1-2-4-13(11)15(18)16-14/h1-9,17H,(H,16,18)
(5)Std. InChIKey: PAXSRTRJTOGLAV-UHFFFAOYSA-N