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| CAS No.: | 91301-03-0 |
|---|---|
| Name: | 2-OXO-1,2-DIHYDRO-QUINOLINE-3-CARBALDEHYDE |
| Molecular Structure: | |
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|
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| Formula: | C10H7NO2 |
| Molecular Weight: | 173.171 |
| Synonyms: | 1,2-Dihydro-2-oxo-3-quinolinecarboxaldehyde;2-Oxo-1,2-dihydroquinoline-3-carbaldehyde;2-Oxo-1,2-dihydroquinoline-3-carboxaldehyde;3-Formyl-2-hydroxyquinoline;3-Formyl-2-quinolone;3-Formylcarbostyril;3-Formylquinolin-2(1H)-one; |
| Density: | 1.367g/cm3 |
| Melting Point: | >250°C |
| Boiling Point: | 434.9 °C at 760 mmHg |
| Flash Point: | 208.7 °C |
| Hazard Symbols: |
 Xi
|
| Risk Codes: | 22-36 |
| Safety: | 26 |
| PSA: | 50.19000 |
| LogP: | 1.75290 |
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- Total:25 Page 1 of 1 1
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Specification
The 3-Quinolinecarboxaldehyde,1,2-dihydro-2-oxo-, with CAS registry number 91301-03-0, has the systematic name of 2-oxo-1,2-dihydroquinoline-3-carbaldehyde. Besides this, it is also called 2-hydroxyquinoline-3-carbaldehyde. And the chemical formula of this chemical is C10H7NO2.
Physical properties of 3-Quinolinecarboxaldehyde,1,2-dihydro-2-oxo-: (1)ACD/LogP: 0.75; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.75; (4)ACD/LogD (pH 7.4): 0.75; (5)ACD/BCF (pH 5.5): 2.19; (6)ACD/BCF (pH 7.4): 2.19; (7)ACD/KOC (pH 5.5): 61.01; (8)ACD/KOC (pH 7.4): 60.99; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 37.38 Å2; (13)Index of Refraction: 1.684; (14)Molar Refractivity: 48.11 cm3; (15)Molar Volume: 126.6 cm3; (16)Polarizability: 19.07×10-24cm3; (17)Surface Tension: 64.3 dyne/cm; (18)Enthalpy of Vaporization: 69.1 kJ/mol; (19)Vapour Pressure: 9.17E-08 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=CC\2=C\c1c(cccc1)NC/2=O
(2)InChI: InChI=1/C10H7NO2/c12-6-8-5-7-3-1-2-4-9(7)11-10(8)13/h1-6H,(H,11,13)
(3)InChIKey: VWHKEYXRRNSJTN-UHFFFAOYAQ
(4)Std. InChI: InChI=1S/C10H7NO2/c12-6-8-5-7-3-1-2-4-9(7)11-10(8)13/h1-6H,(H,11,13)
(5)Std. InChIKey: VWHKEYXRRNSJTN-UHFFFAOYSA-N