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CAS No.: | 142929-10-0 |
---|---|
Name: | 6,6'-Dihydroxy-3,3'-bipyridine |
Article Data: | 1 |
Molecular Structure: | |
Formula: | C10H8N2O2 |
Molecular Weight: | 188.186 |
Synonyms: | 6,6'-Dihydroxy-3,3'-bipyridine; |
Density: | 1.363 g/cm3 |
Boiling Point: | 542.1 °C at 760 mmHg |
Flash Point: | 281.7 °C |
PSA: | 66.24000 |
LogP: | 1.55480 |
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The systematic name of 6,6'-Dihydroxy-3,3'-bipyridine is 3,3'-bipyridine-6,6'-diol. With the CAS registry number 142929-10-0, it is also named as [3,3'-Bipyridine]-6,6'(1H,1'H)-dione. In addition, its molecular formula is C10H8N2O2 and molecular weight is 188.18.
The other characteristics of 6,6'-Dihydroxy-3,3'-bipyridine can be summarized as: (1)# of Rule of 5 Violations: 0; (2)ACD/BCF (pH 5.5): 1; (3)ACD/BCF (pH 7.4): 1; (4)ACD/KOC (pH 5.5): 1; (5)ACD/KOC (pH 7.4): 1; (6)#H bond acceptors: 4; (7)#H bond donors: 2; (8)#Freely Rotating Bonds: 1; (9)Polar Surface Area: 66.24 Å2; (10)Index of Refraction: 1.657; (11)Molar Refractivity: 50.79 cm3; (12)Molar Volume: 138 cm3; (13)Polarizability: 20.13×10-24cm3; (14)Surface Tension: 69.7 dyne/cm; (15)Density: 1.363 g/cm3; (16)Flash Point: 281.7 °C; (17)Enthalpy of Vaporization: 85.09 kJ/mol; (18)Boiling Point: 542.1 °C at 760 mmHg; (19)Vapour Pressure: 2.3E-12 mmHg at 25 °C.
People can use the following data to convert to the molecule structure.
(1)SMILES: Oc1ccc(cn1)c2cnc(O)cc2
(2)InChI: InChI=1/C10H8N2O2/c13-9-3-1-7(5-11-9)8-2-4-10(14)12-6-8/h1-6H,(H,11,13)(H,12,14)
(3)InChIKey: NPOJSRFZNPCHGN-UHFFFAOYAL
(4)Std. InChI: InChI=1S/C10H8N2O2/c13-9-3-1-7(5-11-9)8-2-4-10(14)12-6-8/h1-6H,(H,11,13)(H,12,14)
(5)Std. InChIKey: NPOJSRFZNPCHGN-UHFFFAOYSA-N