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238755-38-9

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Basic Information
CAS No.: 238755-38-9
Name: 2-Quinolinecarboxaldehyde,5,6,7,8-tetrahydro-8-oxo-(9CI)
Article Data: 4
Molecular Structure:
Molecular Structure of 238755-38-9 (2-Quinolinecarboxaldehyde,5,6,7,8-tetrahydro-8-oxo-(9CI))
Formula: C10H9NO2
Molecular Weight: 175.187
Synonyms: 2-Quinolinecarboxaldehyde,5,6,7,8-tetrahydro-8-oxo-(9CI);8-Oxo-5,6,7,8-tetrahydroquinoline-2-carbaldehyde
Density: 1.273 g/cm3
Boiling Point: 350.545 °C at 760 mmHg
Flash Point: 169.826 °C
PSA: 47.03000
LogP: 1.41310
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Specification

8-Oxo-5,6,7,8-tetrahydro-2-quinolinecarbaldehyde, with the CAS registry number 238755-38-9, is also named as 2-Quinolinecarboxaldehyde,5,6,7,8-tetrahydro-8-oxo-. This chemical's molecular formula is C10H9NO2 and molecular weight is 175.18. What's more, its systematic name is 8-Oxo-5,6,7,8-tetrahydro-2-quinolinecarbaldehyde.

Physical properties of 8-Oxo-5,6,7,8-tetrahydro-2-quinolinecarbaldehyde are: (1)ACD/LogP: 1.529; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.53; (4)ACD/LogD (pH 7.4): 1.53; (5)ACD/BCF (pH 5.5): 8.54; (6)ACD/BCF (pH 7.4): 8.55; (7)ACD/KOC (pH 5.5): 161.62; (8)ACD/KOC (pH 7.4): 161.64; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 47.03 Å2; (13)Index of Refraction: 1.615; (14)Molar Refractivity: 48.014 cm3; (15)Molar Volume: 137.65 cm3; (16)Polarizability: 19.034×10-24cm3; (17)Surface Tension: 58.4 dyne/cm; (18)Density: 1.273 g/cm3; (19)Flash Point: 169.826 °C; (20)Enthalpy of Vaporization: 59.516 kJ/mol; (21)Boiling Point: 350.545 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=Cc1ccc2CCCC(=O)c2n1
(2)Std. InChI: InChI=1S/C10H9NO2/c12-6-8-5-4-7-2-1-3-9(13)10(7)11-8/h4-6H,1-3H2
(3)Std. InChIKey: HBNPRUUUAVSPHU-UHFFFAOYSA-N