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CAS No.: | 31301-30-1 |
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Name: | 1,10-Phenanthroline-4-carboxaldehyde |
Article Data: | 8 |
Molecular Structure: | |
Formula: | C13H8N2O |
Molecular Weight: | 208.219 |
Synonyms: | 1,10-Phenanthroline-4-carboxaldehyde;4-formyl-1,10-phenanthroline;1,10-Phenanthrolin-4-aldehyd; |
Density: | 1.337 g/cm3 |
Boiling Point: | 436.146 °C at 760 mmHg |
Flash Point: | 218.213 °C |
PSA: | 42.85000 |
LogP: | 2.59550 |
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The CAS registry number of 1,10-Phenanthroline-4-carboxaldehyde is 31301-30-1. This chemical's molecular formula is C13H8N2O and molecular weight is 208.06. What's more, its systematic name is the same with its product name.
Physical properties about 1,10-Phenanthroline-4-carboxaldehyde are: (1)ACD/LogP: 1.69; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1; (4)ACD/LogD (pH 7.4): 1; (5)ACD/BCF (pH 5.5): 5; (6)ACD/BCF (pH 7.4): 5; (7)ACD/KOC (pH 5.5): 105; (8)ACD/KOC (pH 7.4): 107; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 42.85 Å2; (13)Index of Refraction: 1.772; (14)Molar Refractivity: 64.873 cm3; (15)Molar Volume: 155.779 cm3; (16)Surface Tension: 68.583 dyne/cm; (17)Density: 1.337 g/cm3; (18)Flash Point: 218.213 °C; (19)Enthalpy of Vaporization: 69.255 kJ/mol; (20)Boiling Point: 436.146 °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=Cc3ccnc2c3ccc1cccnc12
(2) InChI: InChI=1S/C13H8N2O/c16-8-10-5-7-15-13-11(10)4-3-9-2-1-6-14-12(9)13/h1-8H
(3) InChIKey: DBLDVGMUYWAEMK-UHFFFAOYSA-N