3-Quinolinecarboxaldehyde,1,2-dihydro-2-oxo- supplier

Name
2-OXO-1,2-DIHYDRO-QUINOLINE-3-CARBALDEHYDE
EINECS
CAS No. 91301-03-0
Article Data70
CAS DataBase
Density 1.367g/cm³
Solubility
Melting Point >250°C
Formula C₁₀H₇NO₂
Boiling Point 434.9 °C at 760 mmHg
Molecular Weight 173.171
Flash Point 208.7 °C
Transport Information
Appearance
Safety 26
Risk Codes 22-36
Molecular Structure
Hazard Symbols Xi
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;
PSA 50.19000
LogP 1.75290

3-Quinolinecarboxaldehyde,1,2-dihydro-2-oxo- 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 C₁₀H₇NO_2.

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

Product Name

2-OXO-1,2-DIHYDRO-QUINOLINE-3-CARBALDEHYDE

3-Quinolinecarboxaldehyde,1,2-dihydro-2-oxo- Specification

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