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69164-27-8

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Basic Information
CAS No.: 69164-27-8
Name: Benzo[h][1,6]naphthyridine-5-carbaldehyde
Molecular Structure:
Molecular Structure of 69164-27-8 (Benzo[h][1,6]naphthyridine-5-carbaldehyde)
Formula: C13H8N2O
Molecular Weight: 208.219
Synonyms: Benzo[h]-1,6-naphthyridine-5-carboxaldehyde;IFLAB-BB F1371-0149;
Density: 1.336 g/cm3
Melting Point: 144 °C
Boiling Point: 436.1 °C at 760 mmHg
Flash Point: 218.2 °C
PSA: 42.85000
LogP: 2.59550
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Specification

This chemical's CAS registry number is 69164-27-8 and it also known as Benzo[h]-1,6-naphthyridine-5-carboxaldehyde. This chemical's molecular formula is C13H8N2O and molecular weight is 208.22. What's more, both the product name and systematic name are the same which is called Benzo[h][1,6]naphthyridine-5-carbaldehyde.

Physical properties about Benzo[h][1,6]naphthyridine-5-carbaldehyde are: (1)ACD/LogP: 1.86; (2)#of Rule of 5 Violations: 0; (3)#H bond acceptors: 3; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 1; (6)Polar Surface Area: 42.85 Å2; (7)Index of Refraction: 1.772; (8)Molar Refractivity: 64.87 cm3; (9)Molar Volume: 155.7 cm3; (10)Polarizability: 25.71×10-24 cm3; (11)Surface Tension: 68.5 dyne/cm; (12)Density: 1.336 g/cm3; (13)Flash Point: 218.2 °C; (14)Enthalpy of Vaporization: 69.25 kJ/mol; (15)Boiling Point: 436.1 °C at 760 mmHg; (16)Vapour Pressure: 8.28E-08 mmHg at 25 °C; (17)Melting Point: 144 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: O=Cc2nc3c(c1ncccc12)cccc3
(2) InChI: InChI=1/C13H8N2O/c16-8-12-10-5-3-7-14-13(10)9-4-1-2-6-11(9)15-12/h1-8H
(3) InChIKey: PNCCXVYVMZWAQH-UHFFFAOYAW