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90418-57-8

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Basic Information
CAS No.: 90418-57-8
Name: 4-Cinnolinecarboxaldehyde
Molecular Structure:
Molecular Structure of 90418-57-8 (4-Cinnolinecarboxaldehyde)
Formula: C9H6N2O
Molecular Weight: 158.159
Synonyms: Cinnoline-4-carbaldehyde;
Density: 1.299 g/cm3
Boiling Point: 346.1 °C at 760 mmHg
Flash Point: 167.2 °C
PSA: 42.85000
LogP: 1.44230
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Specification

The CAS register number of 4-Cinnolinecarboxaldehyde is 90418-57-8. It also can be called as Cinnoline-4-carbaldehyde. The molecular formula about this chemical is C9H6N2O and the molecular weight is 158.16. It belongs to the following product categorie which includes Cinnoline Derivertives.

Physical properties about 4-Cinnolinecarboxaldehyde are: (1)ACD/LogP: 0.35; (2)ACD/LogD (pH 5.5): 0.35; (3)ACD/LogD (pH 7.4): 0.35; (4)ACD/BCF (pH 5.5): 1.09; (5)ACD/BCF (pH 7.4): 1.09; (6)ACD/KOC (pH 5.5): 37.01; (7)ACD/KOC (pH 7.4): 37.01; (8)#H bond acceptors: 3; (9)#Freely Rotating Bonds: 1; (10)Polar Surface Area: 42.85 Å2; (11)Index of Refraction: 1.7; (12)Molar Refractivity: 47.03 cm3; (13)Molar Volume: 121.6 cm3; (14)Polarizability: 18.64x10-24cm3; (15)Surface Tension: 64.2 dyne/cm; (16)Density: 1.299 g/cm3; (17)Flash Point: 167.2 °C; (18)Enthalpy of Vaporization: 59.02 kJ/mol; (19)Boiling Point: 346.1 °C at 760 mmHg; (20)Vapour Pressure: 5.9E-05 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1)SMILES: c1ccc2c(c1)c(cnn2)C=O
(2)InChI: InChI=1/C9H6N2O/c12-6-7-5-10-11-9-4-2-1-3-8(7)9/h1-6H
(3)InChIKey: CORTZCFBTFGJGU-UHFFFAOYAD
(4)Std. InChI: InChI=1S/C9H6N2O/c12-6-7-5-10-11-9-4-2-1-3-8(7)9/h1-6H
(5)Std. InChIKey: CORTZCFBTFGJGU-UHFFFAOYSA-N