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855292-39-6

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Basic Information
CAS No.: 855292-39-6
Name: 2-(ISOQUINOLIN-1-YL)ACETIC ACID
Molecular Structure:
Molecular Structure of 855292-39-6 (2-(ISOQUINOLIN-1-YL)ACETIC ACID)
Formula: C11H9 N O2
Molecular Weight: 187.198
Synonyms: 2-(ISOQUINOLIN-1-YL)ACETIC ACID;
Density: 1.297g/cm3
Boiling Point: 389oC at 760 mmHg
Flash Point: 189.1oC
PSA: 50.19000
LogP: 1.86190
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Chemistry

Molecular Structure of 2-(Isoquinolin-1-yl)acetic acid (CAS NO.855292-39-6):

Systematic Name: Isoquinolin-1-ylacetic acid 
Molecular Formula: C11H9NO2
Molecular Weight: 187.19
CAS Registry Number: 855292-39-6 
H bond acceptors: 3
H bond donors: 1
Freely Rotating Bonds: 2
Index of Refraction: 1.66
Molar Refractivity: 53.3 cm3
Molar Volume: 144.2 cm3
Surface Tension: 61.3 dyne/cm
Density: 1.297 g/cm3
Flash Point: 189.1 °C
Enthalpy of Vaporization: 67.32 kJ/mol
Boiling Point: 389 °C at 760 mmHg
Vapour Pressure: 9.5E-07 mmHg at 25 °C
SMILES: OC(=O)Cc2nccc1ccccc12
InChI: InChI=1/C11H9NO2/c13-11(14)7-10-9-4-2-1-3-8(9)5-6-12-10/h1-6H,7H2,(H,13,14)
InChIKey: CPPDVCCRUHPOSK-UHFFFAOYAI

Specification

 2-(Isoquinolin-1-yl)acetic acid (CAS NO.855292-39-6), its Synonyms are 1-Isoquinolineaceticacid ; Isoquinolin-1-ylacetic acid .