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Quinoline-7-carbaldehyde

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Name

Quinoline-7-carbaldehyde

EINECS N/A
CAS No. 49573-30-0 Density 1.224 g/cm3
PSA 29.96000 LogP 2.04730
Solubility N/A Melting Point 87 °C
Formula C10H7NO Boiling Point 314.316 °C at 760 mmHg
Molecular Weight 157.172 Flash Point 151.879 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 49573-30-0 (Quinoline-7-carbaldehyde) Hazard Symbols Xi
Synonyms

7-Formylquinoline;

 

Quinoline-7-carbaldehyde Specification

The Quinoline-7-carbaldehyde, with the CAS registry number 49573-30-0, is also known as 7-Quinolinecarboxaldehyde. It belongs to the product categories of Aldehyde; Quinoline Derivertives; Quinolinecarboxylic Acids, etc.; Quinolines. This chemical's molecular formula is C10H7NO and molecular weight is 157.17. What's more, its systematic name is called 7-Quinolinecarbaldehyde.

Physical properties about Quinoline-7-carbaldehyde are: (1)ACD/LogP: 1.871; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.87; (4)ACD/LogD (pH 7.4): 1.87; (5)ACD/BCF (pH 5.5): 15.50; (6)ACD/BCF (pH 7.4): 15.56; (7)ACD/KOC (pH 5.5): 247.34; (8)ACD/KOC (pH 7.4): 248.23; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 29.96 Å2; (13)Index of Refraction: 1.687; (14)Molar Refractivity: 48.939 cm3; (15)Molar Volume: 128.439 cm3; (16)Surface Tension: 55.34 dyne/cm; (17)Density: 1.224 g/cm3; (18)Flash Point: 151.879 °C; (19)Enthalpy of Vaporization: 55.547 kJ/mol; (20)Boiling Point: 314.316 °C at 760 mmHg; (21)Vapour Pressure: 0 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: O=Cc1cc2ncccc2cc1
(2) InChI: InChI=1S/C10H7NO/c12-7-8-3-4-9-2-1-5-11-10(9)6-8/h1-7H
(3) InChIKey: WINWAFCAQPFBQA-UHFFFAOYSA-N

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