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| CAS No.: | 61563-43-7 |
|---|---|
| Name: | ISOQUINOLINE-8-CARBOXYLIC ACID |
| Molecular Structure: | |
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| Formula: | C10H7NO2 |
| Molecular Weight: | 173.171 |
| Synonyms: | Isoquinoline-8-carboxylic acid; |
| Density: | 1.339 g/cm3 |
| Melting Point: | 292-294 °C |
| Boiling Point: | 405.6 °C at 760 mmHg |
| Flash Point: | 199.1 °C |
| Hazard Symbols: | Xn |
| Risk Codes: | 22 |
| PSA: | 50.19000 |
| LogP: | 1.93300 |
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Specification
The Isoquinoline-8-carboxylic acid with the CAS number 61563-43-7 is also called 8-Isoquinolinecarboxylicacid. Its molecular formula is C10H7NO2. This chemical belongs to the following product categories: (1)Isoquinoline Derivertives; (2)Building Blocks; (3)Isoquinoline.
The properties of the Isoquinoline-8-carboxylic acid are: (1)ACD/LogP: 1.63; (2)# of Rule of 5 Violations: 0; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 1; (6)ACD/KOC (pH 7.4): 1; (7)#H bond acceptors: 3; (8)#H bond donors: 1; (9)#Freely Rotating Bonds: 1; (10)Polar Surface Area: 50.19 Å2; (11)Index of Refraction: 1.684; (12)Molar Refractivity: 49.11 cm3; (13)Molar Volume: 129.3 cm3; (14)Polarizability: 19.47×10-24cm3; (15)Surface Tension: 65.1 dyne/cm; (16)Enthalpy of Vaporization: 69.3 kJ/mol; (17)Vapour Pressure: 2.64×10-7 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: OC(=O)c1cccc2ccncc12
(2)InChI: InChI=1/C10H7NO2/c12-10(13)8-3-1-2-7-4-5-11-6-9(7)8/h1-6H,(H,12,13)
(3)InChIKey: VMNZQPRIUSJCOH-UHFFFAOYAI